Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.69 |
| ▸ | RAB9A | P51151 | 7/20 | 0.69 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.69 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.69 |
| ▸ | RELA | Q04206 | 1/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.54 |
| ▸ | WNT3A | P56704 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | MTOR | P42345 | 1/20 | 0.48 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.48 |
| ▸ | NCF1 | P14598 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14580724 | 0.86 | NPC1 (0.71) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL28224829 | 0.84 | NPC1 (0.69) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL11716643 | 0.82 | NPC1 (0.66) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL11716649 | 0.82 | NPC1 (0.66) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL2638111 | 0.82 | NPC1 (0.66) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL2638108 | 0.81 | NPC1 (0.64) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL6030882 | 0.81 | NPC1 (0.64) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL4413382 | 0.81 | NPC1 (0.64) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL10605304 | 0.81 | NPC1 (0.64) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL30444457 | 0.80 | NPC1 (0.63) | NPC1RAB9ANFKB1NFKB2RELA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7407960-B2 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. (US) | 2008-08-05 | — | — | US | disclosed |
| EP-1806346-A1 | Substituted piperazine compounds and their use as fatty acid oxidation inhibitors | CV THERAPEUTICS, INC. (US) | 2007-07-11 | — | — | EP | disclosed |
| EP-1567525-B1 | SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS INC (US) | 2007-06-27 | — | — | EP | disclosed |
| US-20070004751-A1 | Substituted heterocyclic compounds | ELZEIN ELFATIH | 2007-01-04 | — | — | US | disclosed |
| US-7125876-B2 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. (US) | 2006-10-24 | — | — | US | disclosed |
| EP-1567525-A2 | SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2005-08-31 | — | — | EP | disclosed |
| US-20040152890-A1 | Substituted heterocyclic compounds | CV THERAPEUTICS, INC. | 2004-08-05 | — | — | US | disclosed |
| WO-2004052887-A2 | SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2004-06-24 | — | — | 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 (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-20040152890-A1 | Substituted heterocyclic compounds | KCNH1, SDHA, COQ8A | NPC1 2524/4885RAB9A 1508/4885NFKB1 2034/4885 |
| US-20070004751-A1 | Substituted heterocyclic compounds | KCNH1, SDHA, COQ8A | NPC1 2349/4885RAB9A 1496/4885NFKB1 2347/4885 |
“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.