Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR5A2 | O00482 | 4/20 | 0.42 |
| ▸ | NR5A1 | Q13285 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL26667147 | 0.74 | NR5A2 (0.41) | NR5A2NR5A1HPGDSMN1; SMN2TRPA1 | |
| SCHEMBL29594427 | 0.68 | NR5A2 (0.44) | NR5A2NR5A1HPGDEPHX2EPHX1 | |
| SCHEMBL23674236 | 0.67 | NR5A2 (0.47) | NR5A2NR5A1RAB9A | |
| SCHEMBL4451439 | 0.64 | KMT2A (0.38) | — | |
| SCHEMBL6846932 | 0.63 | ALOX5AP (0.43) | NR5A2NR5A1EPHX2 | |
| SCHEMBL1425186 | 0.61 | KDM4E (0.52) | HPGDPOLBEPHX2EPHX1RAB9A | |
| SCHEMBL30887532 | 0.61 | ALDH1A1 (0.65) | HPGDPOLBEPHX2EPHX1RAB9A | |
| SCHEMBL20896973 | 0.61 | SMN1; SMN2 (0.42) | HPGDPOLBEPHX2EPHX1RAB9A | |
| SCHEMBL20896963 | 0.60 | EPHX1 (0.44) | HPGDPOLBEPHX2EPHX1RAB9A | |
| SCHEMBL8019111 | 0.60 | HTR2B (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6346640-B1 | REACTION OF PENTENENITRILE WITH CARBON MONOXIDE AND HYDROXY COMPOUNDS IN THE PRESENCE OF CATALYSTS | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-12 | — | — | US | disclosed |