Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 8/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7004949 | 1.00 | AKR1C3 (0.44) | AKR1C3APEX1ALDH1A1HTTCYP2C9 | |
| SCHEMBL7130597 | 0.81 | AKR1C3 (0.47) | AKR1C3APEX1ALDH1A1CYP2C9 | |
| SCHEMBL7130604 | 0.81 | AKR1C3 (0.47) | AKR1C3APEX1ALDH1A1CYP2C9 | |
| SCHEMBL7008624 | 0.79 | AKR1C3 (0.53) | AKR1C3APEX1CYP2C9 | |
| SCHEMBL7008627 | 0.79 | AKR1C3 (0.53) | AKR1C3APEX1CYP2C9 | |
| SCHEMBL124241 | 0.74 | AKR1C3 (0.45) | AKR1C3APEX1TBXAS1 | |
| SCHEMBL124240 | 0.74 | AKR1C3 (0.45) | AKR1C3APEX1TBXAS1 | |
| SCHEMBL7092784 | 0.74 | AKR1C3 (0.47) | AKR1C3APEX1LMNA | |
| SCHEMBL7092787 | 0.74 | AKR1C3 (0.47) | AKR1C3APEX1LMNA | |
| Guanidine SCHEMBL7163632 | 0.73 | AKR1C3 (0.40) | AKR1C3APEX1TBXAS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1309551-A1 | INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 2003-05-14 | — | — | EP | disclosed |
| WO-2002014273-A1 | INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-02-21 | — | — | WO | disclosed |