Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.49 |
| ▸ | DDO | Q99489 | 1/20 | 0.49 |
| ▸ | PIN1 | Q13526 | 5/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | FLT3 | P36888 | 2/20 | 0.44 |
| ▸ | GPR17 | Q13304 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 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 | |
|---|---|---|---|---|
| SCHEMBL1122187 | 0.90 | PTGDR2 (0.45) | DAODDOPIN1FFAR1PPARG | |
| SCHEMBL5636938 | 0.87 | KDM4E (0.57) | DAOFFAR1PPARGFLT3GPR17 | |
| SCHEMBL11192809 | 0.85 | DAO (0.50) | DAODDOPIN1FLT3HSD17B10 | |
| SCHEMBL31381369 | 0.85 | DAO (0.50) | DAODDOPIN1FLT3HSD17B10 | |
| SCHEMBL20495205 | 0.85 | GPR17 (0.44) | PIN1FFAR1PPARGGPR17CYP2C9 | |
| SCHEMBL23302555 | 0.82 | PTGDR2 (0.46) | DAODDOPIN1FFAR1PPARG | |
| SCHEMBL29882288 | 0.82 | PTGDR2 (0.46) | DAODDOPIN1FFAR1PPARG | |
| SCHEMBL4425832 | 0.82 | DAO (0.55) | DAODDOFFAR1PPARGGPR17 | |
| SCHEMBL6598876 | 0.81 | MAPT (0.51) | PIN1FFAR1HSD17B10KDM4EALDH1A1 | |
| SCHEMBL16240933 | 0.81 | EGFR (0.52) | DAODDOPIN1FFAR1FLT3 |
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 |