Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 5/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 5/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 5/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 5/20 | 0.35 |
| ▸ | APH1A | Q96BI3 | 5/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 5/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7214509 | 0.82 | IDO1 (0.41) | IDO1ALDH1A1KDM4ECA1CA2 | |
| SCHEMBL6883563 | 0.80 | IDO1 (0.47) | IDO1ALDH1A1LMNACA1PSEN1 | |
| SCHEMBL31634968 | 0.80 | IDO1 (0.47) | IDO1ALDH1A1LMNACA1PSEN1 | |
| SCHEMBL11837153 | 0.79 | HTR2A (0.46) | KCNH2DRD3 | |
| SCHEMBL14984399 | 0.77 | PARP11 (0.41) | IDO1TSHRNPSR1 | |
| SCHEMBL13313179 | 0.76 | IDO1 (0.63) | IDO1ALDH1A1KDM4ECYP19A1DRD3 | |
| SCHEMBL10827763 | 0.76 | CYP19A1 (0.44) | CA1CA2CYP19A1 | |
| SCHEMBL10732206 | 0.76 | HTR2A (0.41) | ALDH1A1KDM4EUSP2LMNAMMP9 | |
| SCHEMBL17838136 | 0.73 | NR1D1 (0.42) | ALDH1A1KDM4ENPSR1 | |
| SCHEMBL9835750 | 0.73 | DRD2 (0.49) | ALDH1A1KDM4EUSP2LMNAMMP9 |
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 5 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 |
| CN-1370176-A | Subsstituted heterocycle fused gamma-carbolines | BRISTOL MYERS SQUIBB CO (US) | 2002-09-18 | — | — | CN | disclosed |
| US-5194437-A | Substituted with oxygen containing heterocycle, central nervous system disorders, neuroendocrine disorders | ADIR ET COMPAGNIE (FR) | 1993-03-16 | — | — | US | disclosed |