Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 11/20 | 0.56 |
| ▸ | CTSK | P43235 | 10/20 | 0.56 |
| ▸ | CTSB | P07858 | 4/20 | 0.56 |
| ▸ | CTSL | P07711 | 2/20 | 0.56 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.53 |
| ▸ | MMP2 | P08253 | 1/20 | 0.52 |
| ▸ | MMP9 | P14780 | 1/20 | 0.52 |
| ▸ | MMP8 | P22894 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | AKT1 | P31749 | 1/20 | 0.49 |
| ▸ | ACE | P12821 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9491980 | 1.00 | CTSS (0.56) | CTSSCTSKCTSBCTSLCYP17A1 | |
| SCHEMBL6163823 | 0.86 | CTSS (0.73) | CTSSCTSKCTSBCTSLHDAC8 | |
| SCHEMBL6749429 | 0.86 | CTSS (0.52) | CTSSCTSKCTSBCTSLCYP17A1 | |
| SCHEMBL30279703 | 0.86 | CTSS (0.73) | CTSSCTSKCTSBCTSLHDAC8 | |
| SCHEMBL16658 | 0.86 | ACE (0.62) | CTSSCTSKCTSBCTSLACE | |
| SCHEMBL478774 | 0.86 | ACE (0.62) | CTSSCTSKCTSBCTSLACE | |
| SCHEMBL6163323 | 0.86 | CTSS (0.73) | CTSSCTSKCTSBCTSLHDAC8 | |
| SCHEMBL6163314 | 0.86 | CTSS (0.73) | CTSSCTSKCTSBCTSLHDAC8 | |
| SCHEMBL3338649 | 0.86 | ACE (0.62) | CTSSCTSKCTSBCTSLACE | |
| SCHEMBL7894417 | 0.86 | SCN9A (0.56) | CTSSCTSKCTSBCTSLAKT1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6180611-B1 | INHIBITORS OF MATRIX METALLOPROTEINASES AND TUMOR NECROSIS FACTOR | DARWIN DISCOVERY, LTD. (GB) | 2001-01-30 | — | — | US | disclosed |
| US-5994312-A | Peptidyl compounds | DARWIN DISCOVERY, LTD. (GB) | 1999-11-30 | — | — | US | disclosed |
| EP-0527764-A1 | PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY | Beecham Group p.l.c. (GB) | 1993-02-24 | — | — | EP | disclosed |
| WO-1991015507-A1 | PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY | BEECHAM GROUP PLC (GB) | 1991-10-17 | — | — | WO | disclosed |