Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 8/20 | 0.63 |
| ▸ | SRC | P12931 | 8/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | GPR3 | P46089 | 1/20 | 0.47 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | AGTR1 | P30556 | 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 | |
|---|---|---|---|---|
| SCHEMBL20598597 | 0.81 | SRC (0.55) | EGFRSRCKDM4EALDH1A1NPC1 | |
| SCHEMBL30443220 | 0.80 | EGFR (0.65) | EGFRSRCKDM4EALDH1A1NPC1 | |
| SCHEMBL984736 | 0.80 | EGFR (0.65) | EGFRSRCKDM4EALDH1A1NPC1 | |
| SCHEMBL11811603 | 0.80 | EGFR (0.65) | EGFRSRCKDM4EALDH1A1NPC1 | |
| SCHEMBL9690808 | 0.79 | EGFR (0.68) | EGFRSRCKDM4EALDH1A1NPC1 | |
| SCHEMBL4658577 | 0.79 | NPC1 (0.68) | EGFRSRCKDM4EALDH1A1NPC1 | |
| SCHEMBL22443294 | 0.77 | KDM4E (0.52) | EGFRKDM4EALDH1A1ATML3MBTL1 | |
| SCHEMBL7487890 | 0.77 | ALDH1A1 (0.70) | EGFRKDM4EALDH1A1NPC1MAPT | |
| SCHEMBL1388782 | 0.77 | EGFR (1.00) | EGFRSRCKDM4EALDH1A1NPC1 | |
| SCHEMBL7437202 | 0.76 | ALDH1A1 (0.62) | EGFRSRCKDM4EALDH1A1NPC1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110452235-A | Fluorine isoxazole class compound and preparation method thereof, pharmaceutical composition and purposes | SHANGHAI INST MATERIA MEDICA CAS | 2019-11-15 | — | — | CN | disclosed |
| EP-3401315-A1 | FXR RECEPTOR MODULATOR, PREPARATION METHOD THEREFOR, AND USES THEREOF | Guangzhou Henovcom Bioscience Co. Ltd. (CN) | 2018-11-14 | — | — | EP | disclosed |
| US-5556874-A | ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS | WARNER LAMBERT COMPANY (US) | 1996-09-17 | — | — | US | disclosed |
| US-5464861-A | Anticarcinogenic agents | WARNER-LAMBERT (US) | 1995-11-07 | — | — | US | disclosed |
| EP-0654024-A1 | 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES | WARNER-LAMBERT COMPANY (US) | 1995-05-24 | — | — | EP | disclosed |
| WO-1994003427-A1 | 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES | WARNER-LAMBERT COMPANY (US) | 1994-02-17 | — | — | WO | disclosed |