Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 11/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 9/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.37 |
| ▸ | USP2 | O75604 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | ERN1 | O75460 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13006167 | 0.87 | NPC1 (0.39) | CYP1A2CYP3A4HSD17B10CYP2D6TSHR | |
| SCHEMBL13006175 | 0.78 | CYP1A2 (0.47) | CYP1A2CYP3A4HSD17B10CYP2D6TSHR | |
| SCHEMBL10266279 | 0.75 | KMT2A (0.34) | LMNAALDH1A1MAPK1MAPTMEN1 | |
| SCHEMBL13006174 | 0.71 | ERN1 (0.53) | CYP1A2CYP3A4HSD17B10CYP2D6TSHR | |
| SCHEMBL13061005 | 0.68 | KCNA5 (0.49) | CYP3A4TSHRLMNAERN1HPGD | |
| SCHEMBL12718963 | 0.68 | MAPT (0.36) | LMNAALDH1A1MAPK1MAPTMEN1 | |
| SCHEMBL13005779 | 0.67 | CYP1A2 (0.38) | CYP1A2CYP2D6CYP2C19LMNACYP2C9 | |
| SCHEMBL13060854 | 0.66 | NPC1 (0.46) | CYP1A2CYP3A4HSD17B10CYP2D6TSHR | |
| SCHEMBL15655702 | 0.66 | MEN1 (0.49) | CYP1A2CYP3A4HSD17B10CYP2D6TSHR | |
| SCHEMBL10265250 | 0.66 | MEN1 (0.36) | TSHRALDH1A1MAPK1MAPTMEN1 |
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 1 patent. 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 |