Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | HTR7 | P34969 | 1/20 | 0.50 |
| ▸ | RAD52 | P43351 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5169313 | 0.84 | PTPN1 (0.55) | PTPN1NPC1RAB9AHTR7RAD52 | |
| SCHEMBL11839825 | 0.82 | POLB (0.58) | NPC1RAB9AKMT2ACES2CES1 | |
| SCHEMBL5804871 | 0.82 | PTPN1 (0.53) | PTPN1NPC1RAB9AHTR7RAD52 | |
| SCHEMBL11832775 | 0.82 | GSK3B (0.53) | NPC1RAB9AKMT2AMEN1ATM | |
| SCHEMBL2598225 | 0.80 | TSHR (0.59) | PTPN1NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL4686815 | 0.79 | MEN1 (0.54) | PTPN1NPC1RAB9AHTR7RAD52 | |
| SCHEMBL9756778 | 0.78 | PTPN1 (0.48) | PTPN1NPC1RAB9AHTR7RAD52 | |
| SCHEMBL11763415 | 0.78 | SMN1; SMN2 (0.59) | PTPN1NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL5193896 | 0.78 | HDAC3 (0.58) | NPC1RAB9ACES2CES1HSD11B1 | |
| SCHEMBL22473526 | 0.75 | PTPN1 (0.46) | PTPN1NPC1RAB9AHTR7RAD52 |
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 |