Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | LDHA | P00338 | 2/20 | 0.35 |
| ▸ | LDHB | P07195 | 2/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21156022 | 0.84 | CYP3A4 (0.42) | KDM4ECYP3A4ACHEKMT2AALDH1A1 | |
| SCHEMBL23629456 | 0.80 | LCK (0.42) | KDM4ECYP3A4KMT2AALDH1A1TSHR | |
| SCHEMBL10660689 | 0.79 | KDM4E (0.48) | KDM4ECYP3A4ACHEKMT2AALDH1A1 | |
| SCHEMBL28043740 | 0.77 | KDM4E (0.50) | KDM4ECYP3A4ACHEKMT2AALDH1A1 | |
| SCHEMBL27640171 | 0.76 | KDM4E (0.46) | KDM4ECYP3A4ACHEKMT2AALDH1A1 | |
| SCHEMBL29576939 | 0.75 | CYP3A4 (0.45) | KDM4ECYP3A4ACHEKMT2AALDH1A1 | |
| SCHEMBL8730406 | 0.75 | CYP3A4 (0.45) | KDM4ECYP3A4ACHEKMT2AALDH1A1 | |
| SCHEMBL8309614 | 0.75 | KDM4E (0.48) | KDM4ECYP3A4ACHEKMT2AALDH1A1 | |
| SCHEMBL27818807 | 0.73 | KDM4E (0.41) | KDM4ECYP3A4ACHEALDH1A1MAPK1 | |
| SCHEMBL9305599 | 0.72 | KDM4E (0.55) | KDM4ECYP3A4ACHEKMT2AALDH1A1 |
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-0637300-B1 | ANTIPROLIFERATIVE QUINAZOLINES | AGOURON PHARMA (US) | 2001-09-05 | — | — | EP | disclosed |
| EP-0637300-A1 | ANTIPROLIFERATIVE QUINAZOLINES | AGOURON PHARMACEUTICALS, INC. (US) | 1995-02-08 | — | — | EP | disclosed |
| WO-1993020055-A1 | ANTIPROLIFERATIVE QUINAZOLINES | AGOURON PHARMACEUTICALS, INC. (US) | 1993-10-14 | — | — | WO | disclosed |