Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.42 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.42 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.41 |
| ▸ | CFTR | P13569 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | SUV39H2 | Q9H5I1 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8117943 | 0.85 | MAPK1 (0.46) | MAPK1GPR119ALDH1A1MAPTCYP2C9 | |
| SCHEMBL7095121 | 0.80 | RXFP1 (0.42) | MAPK1GPR119TLR9CFTRALDH1A1 | |
| SCHEMBL6979693 | 0.80 | DRD2 (0.46) | ALDH1A1ALOX15CYP2C19TSHR | |
| SCHEMBL25221277 | 0.79 | ALDH1A1 (0.52) | MAPK1GPR119ALDH1A1MAPTCYP2C9 | |
| SCHEMBL8305064 | 0.78 | HTR3A (0.51) | MAPTCYP2C19LMNA | |
| SCHEMBL29886110 | 0.77 | SUV39H2 (0.50) | TLR9SMPD3ALDH1A1MAPTLMNA | |
| SCHEMBL23216662 | 0.77 | SUV39H2 (0.50) | TLR9SMPD3ALDH1A1MAPTLMNA | |
| SCHEMBL16558806 | 0.76 | GPR119 (0.46) | GPR119TLR9SMPD3ABCB1ALDH1A1 | |
| SCHEMBL6704559 | 0.76 | DRD2 (0.38) | ALDH1A1MAPTCYP2C9ALOX15CYP2C19 | |
| SCHEMBL24847131 | 0.74 | LMNA (0.49) | GPR119TLR9SMPD3ABCB1ALDH1A1 |
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-0716650-B1 | INDOLE AND INDOLINE DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1999-03-24 | — | — | EP | disclosed |
| US-5696122-A | Indole and indoline derivatives as 5HT1D receptor antagonists | SMITHKLINE BEECHAM P.L.C. (GB) | 1997-12-09 | — | — | US | disclosed |