Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | PRNP | P04156 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | FGFR2 | P21802 | 2/20 | 0.37 |
| ▸ | FGFR3 | P22607 | 2/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20142638 | 0.81 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP2C9 | |
| SCHEMBL20141004 | 0.77 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP2C9 | |
| SCHEMBL29903077 | 0.77 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP2C9 | |
| SCHEMBL18522686 | 0.74 | MAPT (0.41) | ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP2C9 | |
| SCHEMBL23259455 | 0.71 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2KDM4EKMT2ARAB9A | |
| SCHEMBL24307417 | 0.70 | ALDH1A1 (0.40) | ALDH1A1KDM4EMAPTHTTL3MBTL1 | |
| SCHEMBL12603197 | 0.69 | SMN1; SMN2 (0.32) | ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1 | |
| SCHEMBL4651782 | 0.67 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP2C9 | |
| SCHEMBL25412903 | 0.67 | CYP1A2 (0.64) | ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP2C9 | |
| SCHEMBL20154296 | 0.67 | KDM4E (0.40) | ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP2C9 |
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-2018089360-A1 | PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |