Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 1/20 | 0.56 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.55 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | HTR6 | P50406 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6920607 | 0.86 | MAPT (0.61) | KRASMAPTCYP3A4ALDH1A1HTT | |
| SCHEMBL6345506 | 0.86 | ALDH1A1 (0.59) | KRASTBXAS1IMPDH2MAPTCYP3A4 | |
| SCHEMBL10806849 | 0.83 | ATM (0.54) | KRASMAPTCYP3A4ALDH1A1HTT | |
| SCHEMBL18383120 | 0.82 | MAPT (0.69) | KRASMAPTCYP3A4ALDH1A1HTT | |
| SCHEMBL3078541 | 0.82 | HTT (0.57) | KRASMAPTCYP3A4ALDH1A1HTT | |
| SCHEMBL693485 | 0.81 | PTGS1 (0.60) | KRASMAPTCYP3A4ALDH1A1HTT | |
| SCHEMBL31744696 | 0.81 | MAPT (0.54) | KRASMAPTCYP3A4ALDH1A1HTT | |
| SCHEMBL4053484 | 0.81 | MAPT (0.54) | KRASMAPTCYP3A4ALDH1A1HTT | |
| SCHEMBL31558741 | 0.79 | MAPT (0.53) | KRASMAPTCYP3A4ALDH1A1HTT | |
| SCHEMBL4443613 | 0.78 | MAPT (0.51) | KRASMAPTCYP3A4ALDH1A1HTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0054417-B1 | INDOLE THROMBOXANE SYNTHETASE INHIBITORS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Pfizer Limited (GB) | 1984-12-19 | — | — | EP | disclosed |
| US-4363912-A | 3-PYRIDYL-3-OR-4-ALKYL INDOLES | PFIZER INC. (US) | 1982-12-14 | — | — | US | disclosed |
| EP-0054417-A1 | Indole thromboxane synthetase inhibitors, processes for their preparation, and pharmaceutical compositions containing them | Pfizer Limited (GB) | 1982-06-23 | — | — | EP | disclosed |