Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | ATM | Q13315 | 2/20 | 0.47 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9175902 | 0.85 | ALDH1A1 (0.48) | EGFRKDM4EALDH1A1ATMNPC1 | |
| SCHEMBL9181384 | 0.80 | EGFR (0.54) | EGFRKDM4EALDH1A1ATMNTRK1 | |
| SCHEMBL9183022 | 0.80 | EGFR (0.54) | EGFRKDM4EALDH1A1ATMNTRK1 | |
| SCHEMBL7489912 | 0.78 | L3MBTL1 (0.57) | EGFRKDM4EALDH1A1ATMNPC1 | |
| SCHEMBL7483704 | 0.77 | ALDH1A1 (0.52) | EGFRKDM4EALDH1A1ATMNPC1 | |
| SCHEMBL7487890 | 0.77 | ALDH1A1 (0.70) | EGFRKDM4EALDH1A1ATMNPC1 | |
| SCHEMBL28187482 | 0.77 | NTRK1 (0.48) | KDM4EALDH1A1NTRK1NPC1RAB9A | |
| SCHEMBL19321135 | 0.75 | EGFR (0.48) | EGFRKDM4EALDH1A1ATMNPC1 | |
| SCHEMBL19321134 | 0.75 | EGFR (0.48) | EGFRKDM4EALDH1A1ATMNPC1 | |
| SCHEMBL7486679 | 0.74 | ALDH1A1 (0.58) | EGFRKDM4EALDH1A1ATMNPC1 |
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-0546181-B1 | INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN ANTAGONISTS | NIPPON SHINYAKU CO LTD (JP) | 1995-08-02 | — | — | EP | disclosed |
| US-5342845-A | Useful as a gastrointestinal motor activity regulator, antimigraine, antipsychotic or antianxiety drug | NIPPON SHINYAKU COMPANY LIMITED (JP) | 1994-08-30 | — | — | US | disclosed |
| EP-0546181-A1 | INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN ANTAGONISTS | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1993-06-16 | — | — | EP | disclosed |