Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IGF1R | P08069 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.37 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11007895 | 0.98 | IGF1R (0.44) | IGF1RALOX15DRD2DRD4DRD3 | |
| SCHEMBL11004564 | 0.93 | KCNH2 (0.45) | IGF1RALOX15DRD2DRD4DRD3 | |
| SCHEMBL11009805 | 0.85 | CYP2A6 (0.45) | DRD2DRD4DRD3KCNH2CYP1A2 | |
| SCHEMBL5535677 | 0.82 | MAOB (0.50) | TDP1 | |
| SCHEMBL5544914 | 0.82 | MAOB (0.50) | TDP1 | |
| SCHEMBL97332 | 0.81 | SIGMAR1 (0.52) | — | |
| SCHEMBL96962 | 0.81 | SIGMAR1 (0.52) | — | |
| SCHEMBL19287067 | 0.81 | TDP1 (0.53) | IGF1RALOX15TAAR1NAAATDP1 | |
| SCHEMBL27555358 | 0.80 | TAAR1 (0.46) | TAAR1NAAAKDM4E | |
| SCHEMBL5548412 | 0.80 | MAOB (0.52) | TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4539151-A | Benzothiazepine derivatives and their method of preparation | MITSUI TOATSU CHEMICALS, INC. (JP) | 1985-09-03 | — | — | US | disclosed |
| US-4539150-A | HYPOTENSIVE AGENTS, SULFIDING, CYCLIZATION | MITSUI TOATSU CHEMICALS, INC. (JP) | 1985-09-03 | — | — | US | disclosed |