Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.57 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | USP2 | O75604 | 2/20 | 0.47 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12601480 | 0.87 | TACR1 (0.58) | TACR1KCNA3MEN1RAB9AKMT2A | |
| Hydrochloric Acid SCHEMBL3595461 | 0.81 | MAOA (0.56) | TACR1KCNA3MEN1RAB9AKMT2A | |
| SCHEMBL13059781 | 0.81 | KCNA3 (0.54) | TACR1KCNA3MEN1RAB9AKMT2A | |
| SCHEMBL28611554 | 0.80 | NPFFR1 (0.58) | TACR1CYP2D6USP2CHRM3ALDH1A1 | |
| SCHEMBL5568767 | 0.78 | TACR1 (0.56) | TACR1OPRM1HSD11B1 | |
| SCHEMBL5571567 | 0.76 | P2RX7 (0.56) | TACR1KCNA3MEN1KMT2ACYP2D6 | |
| SCHEMBL7971201 | 0.76 | ALDH1A1 (0.47) | TACR1CHRM5CHRM1CHRM3ALDH1A1 | |
| SCHEMBL5380076 | 0.75 | HSD11B1 (0.48) | TACR1KCNA3MEN1KMT2ACYP2D6 | |
| SCHEMBL7975314 | 0.75 | HSD11B1 (0.55) | MEN1RAB9AKMT2ACYP2D6USP2 | |
| SCHEMBL3593944 | 0.75 | TACR1 (0.48) | TACR1KCNA3MEN1RAB9AKMT2A |
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-1781623-A1 | COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS | Novartis AG (CH) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006018284-A1 | COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS | NOVARTIS AG (CH) | 2006-02-23 | — | — | WO | disclosed |