Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PLA2G2A | P14555 | 3/20 | 0.37 |
| ▸ | RET | P07949 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
| ▸ | F2RL3 | Q96RI0 | 2/20 | 0.35 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2005171 | 0.94 | LMNA (0.38) | KDM4ECYP3A4CYP1A2ALDH1A1HPGD | |
| SCHEMBL2010466 | 0.93 | RET (0.38) | KDM4ECYP3A4CYP1A2NPC1ALDH1A1 | |
| SCHEMBL2003008 | 0.92 | PLA2G2A (0.40) | CYP3A4CYP1A2ALDH1A1CYP2C19PLA2G2A | |
| SCHEMBL2005825 | 0.91 | RET (0.38) | KDM4ENPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL2007059 | 0.91 | MAPK1 (0.41) | KDM4ECYP3A4CYP1A2ALDH1A1CYP2C19 | |
| SCHEMBL2002122 | 0.91 | PTGES2 (0.41) | KDM4ECYP3A4CYP1A2NPC1ALDH1A1 | |
| SCHEMBL2004562 | 0.91 | RET (0.37) | KDM4ECYP3A4CYP1A2NPC1ALDH1A1 | |
| SCHEMBL2004073 | 0.90 | KDM4E (0.41) | KDM4ECYP3A4CYP1A2NPC1ALDH1A1 | |
| SCHEMBL2005951 | 0.90 | PLA2G2A (0.43) | KDM4ECYP3A4CYP1A2NPC1ALDH1A1 | |
| SCHEMBL2005834 | 0.90 | LMNA (0.39) | KDM4ECYP3A4CYP1A2NPC1ALDH1A1 |
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-7960544-B2 | Useful indole compounds | IRONWOOD PHARMACEUTICALS, INC. (US) | 2011-06-14 | — | — | US | disclosed |