Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | PI4KA | P42356 | 1/20 | 0.31 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.31 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.30 |
| ▸ | USP14 | P54578 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2881587 | 0.89 | NPC1 (0.37) | NPC1POLBRAB9ABACE1CYSLTR1 | |
| SCHEMBL29549918 | 0.89 | NPC1 (0.37) | NPC1POLBRAB9ABACE1CYSLTR1 | |
| SCHEMBL6483485 | 0.85 | CYP4F2 (0.34) | S1PR1 | |
| SCHEMBL23554539 | 0.83 | PREP (0.35) | NPC1POLBRAB9APIK3CAPI4KA | |
| SCHEMBL3178345 | 0.80 | PPARG (0.40) | POLBBACE1USP14 | |
| SCHEMBL1535666 | 0.80 | IDO1 (0.34) | NPC1RAB9A | |
| SCHEMBL20757569 | 0.79 | DRD2 (0.33) | — | |
| SCHEMBL24247636 | 0.79 | — | — | |
| SCHEMBL31601511 | 0.79 | PPARG (0.34) | — | |
| SCHEMBL18929550 | 0.79 | TRPV1 (0.37) | NPC1POLBRAB9AS1PR1PIK3CA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7998968-B2 | Substituted pyrimidines and [1,2, 4] triazoles and the use thereof for treating prophylaxis, cardiovascular diseases, metabolic diseases and/or central nervous system diseases | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-08-16 | — | — | US | disclosed |
| US-20110112120-A9 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2011-05-12 | — | — | US | disclosed |
| US-7803940-B2 | Heteromonocyclic compound or a salt thereof having strong antihypertensive action, insulin sensitizing activity and the like production thereof and use thereof for prophylaxis or treatment of cardiovascular diseases, metabolic diseases and/or central nervous system diseases | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-28 | — | — | US | disclosed |
| US-20100113780-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-05-06 | — | — | US | disclosed |
| US-20100105709-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-04-29 | — | — | US | disclosed |
| US-20100056526-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-03-04 | — | — | US | disclosed |
| WO-2009133970-A1 | CRYSTALLINE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-05 | — | — | WO | disclosed |
| US-20090176812-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2009-07-09 | — | — | US | disclosed |
| EP-2074117-A2 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-07-01 | — | — | EP | disclosed |
| US-20080207654-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2008-08-28 | — | — | US | disclosed |
| WO-2008062905-A2 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-05-29 | — | — | WO | disclosed |
| US-6900209-B2 | Nitrogen substituted 1,2,4-triazolo[3,4-a]phthalazine derivatives for enhancing cognition | MERCK SHARP & DOHME LTD. | 2005-05-31 | — | — | US | disclosed |
| US-20040043982-A1 | Nitrogen substituted 1,2,4-triazolo[3,4-a]phthalazine derivatives for enhancing cognition | MERCK SHARP & DOHME LTD. (GB) | 2004-03-04 | — | — | US | disclosed |
| WO-2002042305-A1 | NITROGEN SUBSTITUTED 1,2,4-TRIAZOLO[3,4-A]PHTHALAZINE DERIVATIVES FOR ENHANCING COGNITION | MERCK SHARP & DOHME LIMITED (GB) | 2002-05-30 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110112120-A9 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | C1R, C1S, C3AR1 | NPC1 106/4885POLB 3985/4885RAB9A 804/4885 |
| US-20100113780-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | C1R, C1S, C3AR1 | NPC1 106/4885POLB 3985/4885RAB9A 804/4885 |
| US-20040043982-A1 | Nitrogen substituted 1,2,4-triazolo[3,4-a]phthalazine derivatives for enhancing cognition | PSEN1, BDNF, H1-5 | NPC1 146/4885POLB 4120/4885RAB9A 2218/4885 |
| US-20100056526-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | CYP11B2, CYP11B1, NR3C2 | NPC1 71/4885POLB 3813/4885RAB9A 1548/4885 |
| US-20080207654-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | C1R, C3AR1, C1S | NPC1 136/4885POLB 3974/4885RAB9A 1037/4885 |
| US-20090176812-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | C1R, C1S, C3AR1 | NPC1 106/4885POLB 3985/4885RAB9A 804/4885 |
| US-20100105709-A1 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | C1R, C1S, C3AR1 | NPC1 106/4885POLB 3985/4885RAB9A 804/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.