Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 6/20 | 0.39 |
| ▸ | CTSB | P07858 | 6/20 | 0.39 |
| ▸ | CTSK | P43235 | 5/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 5/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PREP | P48147 | 2/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL1117743 | 0.86 | CTSL (0.39) | CTSLCTSBCTSKENPP2SIGMAR1 | |
| SCHEMBL1117780 | 0.78 | ALDH1A1 (0.40) | CTSLCTSBCTSKENPP2SIGMAR1 | |
| SCHEMBL7012926 | 0.75 | SLC6A2 (0.43) | CTSLCTSBCTSKENPP2CHRM3 | |
| SCHEMBL1117787 | 0.73 | ENPP2 (0.42) | CTSLCTSBCTSKENPP2SIGMAR1 | |
| SCHEMBL9942953 | 0.70 | CTSL (0.49) | CTSLCTSBCTSKKDM1AMAOB | |
| SCHEMBL1162705 | 0.69 | ENPP2 (0.42) | ENPP2SIGMAR1CHRM2CHRM5CHRM1 | |
| SCHEMBL1162707 | 0.68 | ALDH1A1 (0.47) | ENPP2SIGMAR1CHRM2CHRM5CHRM1 | |
| SCHEMBL31717656 | 0.68 | SIGMAR1 (0.49) | ENPP2SIGMAR1CHRM2CHRM5CHRM1 | |
| SCHEMBL5350803 | 0.68 | KDM1A (0.61) | KDM1AENPP2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL21996851 | 0.67 | SIGMAR1 (0.46) | CTSLCTSBCTSKENPP2SIGMAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2649077-A1 | HIV INTEGRASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012078834-A1 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-06-14 | — | — | WO | disclosed |