Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.52 |
| ▸ | RHOA | P61586 | 1/20 | 0.51 |
| ▸ | NCF1 | P14598 | 1/20 | 0.45 |
| ▸ | CSNK2A2 | P19784 | 4/20 | 0.44 |
| ▸ | CSNK2B | P67870 | 4/20 | 0.44 |
| ▸ | CSNK2A1 | P68400 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 5/20 | 0.42 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29355413 | 0.78 | ABCG2 (0.64) | ABCG2CSNK2A2CSNK2BCSNK2A1ALDH1A1 | |
| SCHEMBL17432179 | 0.78 | ABCG2 (0.64) | ABCG2CSNK2A2CSNK2BCSNK2A1ALDH1A1 | |
| SCHEMBL396525 | 0.77 | NCF1 (0.61) | RHOANCF1CSNK2A1ALDH1A1KDM4E | |
| SCHEMBL29833517 | 0.77 | NCF1 (0.61) | RHOANCF1CSNK2A1ALDH1A1KDM4E | |
| SCHEMBL1701970 | 0.77 | NPC1 (0.61) | ABCG2RHOANCF1ALDH1A1KDM4E | |
| SCHEMBL3951916 | 0.77 | IGF1R (0.55) | ABCG2RHOANCF1ALDH1A1KDM4E | |
| SCHEMBL26545887 | 0.75 | IDO1 (0.47) | ABCG2CSNK2A2CSNK2BCSNK2A1ALDH1A1 | |
| SCHEMBL22627074 | 0.74 | ABCG2 (0.51) | ABCG2RHOACSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL2849200 | 0.74 | TLR4 (0.47) | ABCG2ALDH1A1EGFRPDGFRBKDR | |
| SCHEMBL4214745 | 0.73 | AURKA (0.58) | ABCG2RHOAALDH1A1KDM4ERAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104530061-B | Icotinib hydrochloride crystal forms, medicine composition and application of icotinib hydrochloride crystal forms | 贝达药业股份有限公司 | 2017-05-10 | — | — | CN | disclosed |
| CN-104592242-B | Icotinib hydrochloride crystal forms, medicine composition and application | 贝达药业股份有限公司 | 2017-01-25 | — | — | CN | disclosed |