Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 7/20 | 0.65 |
| ▸ | RET | P07949 | 11/20 | 0.61 |
| ▸ | KDR | P35968 | 7/20 | 0.61 |
| ▸ | KIF5B | P33176 | 6/20 | 0.61 |
| ▸ | FLT1 | P17948 | 1/20 | 0.61 |
| ▸ | LCK | P06239 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | GAK | O14976 | 1/20 | 0.57 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.57 |
| ▸ | ABL1 | P00519 | 1/20 | 0.57 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CDK1 | P06493 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | FBP1 | P09467 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | SRC | P12931 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8583372 | 0.99 | EGFR (0.64) | EGFRRETKDRKIF5BFLT1 | |
| SCHEMBL2286956 | 0.86 | EGFR (0.56) | EGFRRETKDRKIF5BFLT1 | |
| SCHEMBL30264393 | 0.82 | EGFR (0.53) | EGFRERBB2SRC | |
| SCHEMBL30264288 | 0.80 | EGFR (0.72) | EGFRRETERBB2EPHB2 | |
| SCHEMBL30264685 | 0.80 | EGFR (0.53) | EGFRERBB2SRC | |
| SCHEMBL30264479 | 0.80 | EGFR (0.48) | EGFRRETKDRKIF5BLCK | |
| SCHEMBL12200787 | 0.79 | RET (0.74) | EGFRRETKDRKIF5BFLT1 | |
| SCHEMBL31747062 | 0.78 | RET (0.74) | EGFRRETKDRKIF5BFLT1 | |
| SCHEMBL4447123 | 0.78 | SRC (0.68) | EGFRGAKABL1ERBB2SRC | |
| SCHEMBL18158498 | 0.78 | EGFR (0.62) | EGFRRETKDRFLT1LCK |
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-1100540-C | Protein tyrosine kinase aryl and heteroaryl quinazoline compounds having selective inhibition of HER-2 autophosphorylation properties | AVENTIS PHARMA INC (US) | 2003-02-05 | — | — | CN | disclosed |
| CN-1187129-A | Protein tyrosine kinase aryl and heteroaryl quinazoline compounds having selective inhibition of HER-2 autophosphorylation properties | RHONE POULENC RORER PHARMA (US) | 1998-07-08 | — | — | CN | disclosed |
| US-5580870-A | ANTICARCINOGENIC AGENTS | ZENECA LIMITED (GB) | 1996-12-03 | — | — | US | disclosed |
| EP-0602851-B1 | Quinazoline derivatives | ZENECA LTD (GB) | 1996-10-09 | — | — | EP | disclosed |
| CN-1094043-A | Quinazoline derivant | ZENECA LTD (GB) | 1994-10-26 | — | — | CN | disclosed |
| EP-0602851-A1 | Quinazoline derivatives | ZENECA LIMITED (GB) | 1994-06-22 | — | — | EP | disclosed |