Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.62 |
| ▸ | RAB9A | P51151 | 5/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | ATM | Q13315 | 1/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.44 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4082404 | 1.00 | NPC1 (0.62) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL4098506 | 1.00 | NPC1 (0.62) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL32665689 | 0.82 | NPC1 (0.68) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL303388 | 0.80 | — | — | |
| Methyl Alcohol SCHEMBL28478479 | 0.79 | NPC1 (0.89) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL229329 | 0.78 | NPC1 (1.00) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL229328 | 0.78 | NPC1 (1.00) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL31560044 | 0.78 | NPC1 (1.00) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL9394256 | 0.78 | NPC1 (1.00) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL4380612 | 0.78 | NPC1 (0.56) | NPC1RAB9AMEN1KMT2AATM |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9290591-B2 | Iron complexes and methods for polymerization | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2016-03-22 | — | — | US | disclosed |
| US-20140011971-A1 | IRON COMPLEXES AND METHODS FOR POLYMERIZATION | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2014-01-09 | — | — | US | disclosed |
| US-20090181962-A1 | Substituted thiophene compounds | ASTRAZENECA AB, A SWEDEN CORPORATION | 2009-07-16 | — | — | US | disclosed |
| US-7358376-B2 | Substituted Thiophene compounds | ASTRAZENECA AB (SE) | 2008-04-15 | — | — | US | disclosed |
| EP-1261600-B1 | HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 | ASTRAZENECA AB (SE) | 2004-05-06 | — | — | EP | disclosed |
| EP-1261600-A1 | HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 | AstraZeneca AB (SE) | 2002-12-04 | — | — | EP | disclosed |
| US-20020107252-A1 | Novel Compounds | ASTRAZENECA AB (SE) | 2002-08-08 | — | — | US | disclosed |
| WO-2001058890-A1 | HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 | ASTRAZENECA AB (SE) | 2001-08-16 | — | — | WO | disclosed |
| EP-0288279-B1 | 1,3-DIOXANES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-09-09 | — | — | EP | disclosed |
| US-4921866-A | 1,3-dioxanes | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-05-01 | — | — | US | disclosed |
| EP-0288279-A2 | 1,3-Dioxanes | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-10-26 | — | — | EP | 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 (2 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-20090181962-A1 | Substituted thiophene compounds | ABCG2, SULT1E1, TPMT | NPC1 1559/4885RAB9A 2237/4885MEN1 3423/4885 |
| US-20020107252-A1 | Novel Compounds | UGT1A1, CYP1B1, CYP1A1 | NPC1 498/4885RAB9A 2154/4885MEN1 1000/4885 |
“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.