Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CDC7 | O00311 | 5/20 | 0.34 |
| ▸ | DBF4 | Q9UBU7 | 5/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 2/20 | 0.31 |
| ▸ | CDK2 | P24941 | 2/20 | 0.30 |
| ▸ | PLK4 | O00444 | 1/20 | 0.30 |
| ▸ | IKBKB | O14920 | 1/20 | 0.30 |
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
| ▸ | CHUK | O15111 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20752274 | 0.76 | KDR (0.42) | CHRM4HSD17B10KDM4ECDC7DBF4 | |
| SCHEMBL14461575 | 0.75 | KDM4E (0.33) | HSD17B10KDM4EMAPK1 | |
| SCHEMBL12292761 | 0.68 | — | — | |
| SCHEMBL10200849 | 0.68 | LTA4H (0.41) | CHRM4HSD17B10KDM4EMAPK1NPC1 | |
| SCHEMBL4403923 | 0.67 | KDM4E (0.38) | CHRM4KDM4EALDH1A1PKM | |
| SCHEMBL19626329 | 0.67 | KDR (0.36) | KDR | |
| SCHEMBL17339846 | 0.66 | HSD17B10 (0.33) | HSD17B10KDM4EMAPK1NPC1ALDH1A1 | |
| SCHEMBL14959701 | 0.65 | CHRM4 (0.39) | CHRM4HSD17B10KDM4EMAPK1CDC7 | |
| SCHEMBL21621605 | 0.64 | RAB9A (0.47) | HSD17B10KDM4EMAPK1NPC1ALDH1A1 | |
| SCHEMBL813862 | 0.64 | SMN1; SMN2 (0.39) | HSD17B10KDM4ENPC1ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021126995-A1 | METHODS AND COMPOSITIONS FOR TREATING CANCER | ENGINE BIOSCIENCES PTE. LTD. (SG) | 2021-06-24 | — | — | WO | disclosed |
| US-7605154-B2 | ATP-protein kinase inhibitors; cytomegalovirus; contraceptive agents; cancer; N7-(3-ethynyl-phenyl)-N2-(4-piperidin-1-ylmethyl-phenyl)-thiazolo[4,5-d]pyrimidine-2,7-diamine | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-10-20 | — | — | US | disclosed |