Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PIP4K2A | P48426 | 2/20 | 0.41 |
| ▸ | PIP4K2C | Q8TBX8 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30380197 | 0.80 | CYP1A2 (0.51) | MAP2K1AURKAALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL20551942 | 0.74 | ABL1 (0.52) | — | |
| SCHEMBL30041610 | 0.73 | EGFR (0.50) | RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL1673854 | 0.73 | PIP4K2A (0.47) | MAP2K1TRPV1PIP4K2APIP4K2C | |
| SCHEMBL14067140 | 0.71 | CYP3A4 (0.42) | HPGDALDH1A1SMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL30904731 | 0.70 | BCL6 (0.69) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL20568882 | 0.70 | BCL6 (0.69) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL9438564 | 0.68 | SLC22A12 (0.37) | ALDH1A1CYP1A2CYP3A4POLBCYP11B2 | |
| SCHEMBL31419442 | 0.67 | BCL6 (0.40) | — | |
| SCHEMBL13970809 | 0.67 | CYP3A4 (0.36) | MAP2K1HPGDNPC1ALDH1A1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-102558155-A | Aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of diseases related thereto, such as diabetes and hyperglycemia | ARENA PHARM INC | 2012-07-11 | — | — | CN | disclosed |