Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7967927 | 0.84 | NPC1 (0.50) | NPC1RAB9AL3MBTL1HDAC3SMN1; SMN2 | |
| SCHEMBL5177621 | 0.83 | MEN1 (0.60) | NPC1RAB9AHDAC3SMN1; SMN2HPGD | |
| Acetic Acid SCHEMBL6453507 | 0.81 | KDM4E (0.50) | NPC1RAB9AL3MBTL1HDAC3SMN1; SMN2 | |
| SCHEMBL5671148 | 0.80 | RAB9A (0.56) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL13753140 | 0.78 | L3MBTL1 (0.54) | NPC1RAB9AL3MBTL1HDAC3HPGD | |
| SCHEMBL27816160 | 0.77 | CES2 (0.44) | RAB9AHPGDALDH1A1CES2CES1 | |
| SCHEMBL5636971 | 0.76 | ALPL (0.55) | NPC1RAB9AL3MBTL1HDAC3ALDH1A1 | |
| SCHEMBL12462063 | 0.76 | HDAC3 (0.54) | NPC1RAB9AL3MBTL1HDAC3CES2 | |
| SCHEMBL21210764 | 0.76 | HTT (0.58) | NPC1RAB9AL3MBTL1HDAC3SMN1; SMN2 | |
| SCHEMBL5638410 | 0.75 | CES2 (0.41) | L3MBTL1CES2CES1KMT2AACKR3 |
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 |