Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.45 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.45 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19284492 | 0.89 | CA12 (0.53) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL17869278 | 0.83 | NPC1 (0.58) | ALDH1A1NPC1OPRM1OPRD1OPRK1 | |
| SCHEMBL19230583 | 0.83 | PDK1 (0.49) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL19801995 | 0.82 | DDR1 (0.51) | ALDH1A1NPC1OPRM1OPRD1OPRK1 | |
| SCHEMBL30109340 | 0.81 | LIPE (0.58) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL309165 | 0.79 | MAOA (0.50) | ALDH1A1MAOBKDM4ESRD5A1SRD5A2 | |
| SCHEMBL31395120 | 0.79 | MAPT (0.50) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL14158144 | 0.79 | ESR1 (0.54) | ALDH1A1CA1CA2CA7CA9 | |
| SCHEMBL6374745 | 0.78 | LIPE (0.55) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL19284533 | 0.78 | MRGPRX4 (0.43) | ALDH1A1NPC1OPRM1OPRD1OPRK1 |
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-2017147047-A1 | FXR MODULATORS AND METHODS OF THEIR USE | ALIOS BIOPHARMA, INC. (US) | 2017-08-31 | — | — | WO | disclosed |