Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALPL | P05186 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.48 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | BCL3 | P20749 | 1/20 | 0.47 |
| ▸ | SNCA | P37840 | 1/20 | 0.47 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ESRRG | P62508 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12462063 | 0.86 | HDAC3 (0.54) | NPC1RAB9ACES2CES1HDAC3 | |
| SCHEMBL13753140 | 0.85 | L3MBTL1 (0.54) | NPC1RAB9ACES2CES1HDAC3 | |
| SCHEMBL19835910 | 0.83 | CDK1 (0.54) | ALPLNPC1RAB9AL3MBTL1MAP2K2 | |
| SCHEMBL14243219 | 0.83 | SMN1; SMN2 (0.50) | NPC1RAB9AMAP2K2MAP2K1KDM4E | |
| SCHEMBL17950994 | 0.83 | GCG (0.54) | NPC1RAB9ACES2CES1HDAC3 | |
| SCHEMBL4510569 | 0.83 | TMEM97 (0.58) | NPC1RAB9AMAP2K2MAP2K1KDM4E | |
| SCHEMBL7967927 | 0.82 | NPC1 (0.50) | NPC1RAB9ACES2CES1HDAC3 | |
| SCHEMBL21210764 | 0.82 | HTT (0.58) | NPC1RAB9ACES2CES1HDAC3 | |
| SCHEMBL8980561 | 0.81 | KDM4E (0.58) | ALPLKDM4EALDH1A1MAPTCASP1 | |
| SCHEMBL14743123 | 0.81 | MAP2K2 (0.47) | ALPLNPC1RAB9AMAP2K2MAP2K1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE39679-E1 | Substituted heterocycle fused gamma-carbolines | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2007-06-05 | — | — | US | disclosed |
| EP-1192165-B1 | SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2004-09-22 | — | — | EP | disclosed |
| US-6713471-B1 | SUCH AS TERT-BUTYL-1-METHYL-6,7,9,12-TETRAHYDRO-5H-PYRIDO-(4,3-B)(1,4) THIAZEPINO(2,3,4-HI)INDOLE-11(10H)-CARBOXYLATE; SEROTONIN AGONISTS AND ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-03-30 | — | — | US | disclosed |