Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6045284 | 0.81 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19IDO1 | |
| SCHEMBL6045280 | 0.81 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19IDO1 | |
| SCHEMBL13005774 | 0.81 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19IDO1 | |
| SCHEMBL10265250 | 0.78 | MEN1 (0.36) | POLBRAB9AALDH1A1MAPTNPSR1 | |
| SCHEMBL10209695 | 0.77 | TLR4 (0.40) | POLBRAB9AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL12530396 | 0.74 | TRPV1 (0.40) | CYP1A2CYP2D6CYP2C19RAB9AIDO1 | |
| SCHEMBL10209484 | 0.73 | NFE2L2 (0.31) | — | |
| SCHEMBL12718963 | 0.72 | MAPT (0.36) | POLBRAB9AALDH1A1MAPTNPSR1 | |
| SCHEMBL14970045 | 0.71 | KMT2A (0.34) | CYP1A2CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL8594194 | 0.70 | L3MBTL1 (0.40) | POLBIDO1ALDH1A1MAPTHPGD |
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-7851637-B2 | Compounds and methods for inhibiting the interaction of BCL proteins with binding partners | INFINITY PHARMACEUTICALS, INC. (US) | 2010-12-14 | — | — | US | disclosed |
| US-7851637-B2 | Compounds and methods for inhibiting the interaction of BCL proteins with binding partners | INFINITY PHARMACEUTICALS, INC. (US) | 2010-12-14 | — | — | US | disclosed |