Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | PLAU | P00749 | 2/20 | 0.42 |
| ▸ | HPN | P05981 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL6876986 | 0.92 | CTSS (0.43) | CTSSHPGDSMN1; SMN2PLAUHPN | |
| SCHEMBL6878320 | 0.90 | CCR1 (0.40) | CTSSSMN1; SMN2NPC1MEN1KMT2A | |
| SCHEMBL6879156 | 0.89 | CTSS (0.34) | CTSSHPGDSMN1; SMN2PLAUHPN | |
| SCHEMBL6878825 | 0.89 | CTSS (0.46) | CTSSHPGDSMN1; SMN2PLAUHPN | |
| SCHEMBL6880100 | 0.87 | CTSS (0.47) | CTSSNPC1RAB9APOLB | |
| SCHEMBL6877845 | 0.87 | CTSS (0.47) | CTSSPLAUHPNMEN1KMT2A | |
| SCHEMBL6879026 | 0.87 | CTSS (0.47) | CTSSHPGDSMN1; SMN2PLAUHPN | |
| SCHEMBL6876745 | 0.86 | SMN1; SMN2 (0.43) | CTSSSMN1; SMN2NPC1RAB9ACYP1A2 | |
| SCHEMBL6877232 | 0.83 | METAP2 (0.47) | CTSSNPC1RAB9AMETAP2 | |
| SCHEMBL6878134 | 0.82 | CTSS (0.49) | CTSSSMN1; SMN2NPC1RAB9AKMT2A |
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-2011109470-A1 | HETEROARYL NITRILE COMPOUNDS USEFUL AS INHIBITORS OF CATHEPSIN-S | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-09-09 | — | — | WO | disclosed |