Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTAFR | P25105 | 10/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6159742 | 0.89 | PTAFR (0.49) | PTAFRHTR1ADRD2KDM4EGFER | |
| SCHEMBL6165461 | 0.75 | ALDH1A1 (0.55) | PTAFRALDH1A1 | |
| SCHEMBL28177088 | 0.74 | HTR1A (0.67) | PTAFRHTR1ADRD2KDM4EGFER | |
| SCHEMBL6160650 | 0.73 | CYP2A6 (0.51) | PTAFR | |
| SCHEMBL6159739 | 0.72 | CHRM2 (0.56) | PTAFRHTR1ADRD2PTGDRTDP1 | |
| SCHEMBL6158970 | 0.70 | CYP2A6 (0.48) | PTAFRKDM4EALDH1A1HTTTDP1 | |
| SCHEMBL3344537 | 0.70 | CASR (0.71) | ALDH1A1LMNAHTT | |
| SCHEMBL2462030 | 0.70 | CASR (0.71) | ALDH1A1LMNAHTT | |
| SCHEMBL11486476 | 0.69 | ROCK1 (0.44) | — | |
| SCHEMBL28705794 | 0.69 | TDP1 (0.57) | TDP1L3MBTL1 |
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-6228872-B1 | PEPTIDE-PROLYL ISOMERASE AND ROTAMASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2001-05-08 | — | — | US | disclosed |