Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL2054699 | 0.75 | ALDH1A1 (0.38) | CYP2C19CYP3A4ALDH1A1KDM4ETP53 | |
| SCHEMBL3987440 | 0.71 | KDM4E (0.38) | CYP2C19CYP3A4ALDH1A1KDM4ETP53 | |
| SCHEMBL2096855 | 0.69 | ALDH1A1 (0.45) | CYP2C19CYP3A4ALDH1A1KDM4ETP53 | |
| SCHEMBL2095703 | 0.64 | ALDH1A1 (0.41) | ALDH1A1LMNATSHRL3MBTL1RAB9A | |
| SCHEMBL2054710 | 0.61 | ALDH1A1 (0.41) | ALDH1A1TP53TSHRKMT2ASMN1; SMN2 | |
| SCHEMBL2054714 | 0.61 | ALDH1A1 (0.41) | ALDH1A1LMNATSHRL3MBTL1RAB9A | |
| SCHEMBL2054703 | 0.61 | ALDH1A1 (0.41) | ALDH1A1KDM4ELMNATSHRL3MBTL1 | |
| SCHEMBL8233850 | 0.60 | ALDH1A1 (0.46) | ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL7308113 | 0.59 | SIGMAR1 (0.41) | ALDH1A1KDM4EMAPK1L3MBTL1KMT2A | |
| SCHEMBL23465959 | 0.59 | DRD3 (0.62) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006134341-A1 | THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 2006-12-21 | — | — | WO | disclosed |