Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.60 |
| ▸ | CDC25A | P30304 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | TOP1 | P11387 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.40 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8998975 | 0.91 | EGFR (0.72) | EGFRCDC25AKDM4EALDH1A1HPGD | |
| SCHEMBL8999056 | 0.85 | EGFR (0.47) | EGFRCDC25AKDM4EALDH1A1HPGD | |
| SCHEMBL8998730 | 0.84 | EGFR (0.84) | EGFRCDC25ANPSR1TOP1MEN1 | |
| SCHEMBL8727194 | 0.82 | CDC25A (0.63) | EGFRCDC25AKDM4EALDH1A1HPGD | |
| SCHEMBL8811499 | 0.80 | EGFR (0.78) | EGFRCDC25AKDM4ENPSR1MEN1 | |
| SCHEMBL8999120 | 0.79 | EGFR (0.52) | EGFRCDC25AKDM4EALDH1A1HPGD | |
| SCHEMBL8488571 | 0.79 | ALDH1A1 (0.53) | EGFRCDC25AKDM4EALDH1A1HPGD | |
| SCHEMBL16822181 | 0.77 | ALDH1A1 (0.47) | EGFRCDC25AKDM4EALDH1A1HPGD | |
| SCHEMBL28870561 | 0.77 | KDM4E (0.64) | EGFRKDM4EALDH1A1HPGDNPSR1 | |
| SCHEMBL30099701 | 0.77 | KDM4E (0.64) | EGFRKDM4EALDH1A1HPGDNPSR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |