Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 3/20 | 0.32 |
| ▸ | CTSS | P25774 | 3/20 | 0.32 |
| ▸ | CTSB | P07858 | 2/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 0.32 |
| ▸ | KLK7 | P49862 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6565010 | 0.89 | CTSS (0.34) | HPGDEPHX1JAK3LMNACTSL | |
| SCHEMBL7431174 | 0.86 | LMNA (0.37) | ACHERAB9ANPC1OPRM1OPRD1 | |
| SCHEMBL6567042 | 0.83 | CTSS (0.35) | HPGDEPHX1JAK3LMNACTSL | |
| SCHEMBL6565861 | 0.81 | CTSB (0.36) | ACHEOPRM1LMNACTSLCTSS | |
| SCHEMBL7434373 | 0.81 | CTSB (0.40) | OPRM1HPGDEPHX1CTSLCTSS | |
| SCHEMBL6565014 | 0.80 | CTSL (0.38) | ACHERAB9ANPC1HPGDEPHX1 | |
| SCHEMBL3895610 | 0.76 | CTSS (0.44) | CTSLCTSS | |
| SCHEMBL3899355 | 0.73 | HPGD (0.42) | RAB9ANPC1HPGDEPHX1LMNA | |
| SCHEMBL7444437 | 0.73 | SLC6A2 (0.41) | OPRM1OPRD1OPRK1JAK3 | |
| SCHEMBL7021565 | 0.72 | CTSK (0.51) | CTSLCTSSCTSBCTSK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | claimed |
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |