Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 12/20 | 0.39 |
| ▸ | CTSS | P25774 | 8/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 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 | |
|---|---|---|---|---|
| SCHEMBL1176007 | 0.85 | CA1 (0.47) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL1176010 | 0.85 | CA1 (0.47) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL4293013 | 0.85 | CA1 (0.47) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL15776181 | 0.84 | CA1 (0.42) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL8422673 | 0.82 | CA1 (0.41) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL1174310 | 0.82 | CA1 (0.41) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL6201206 | 0.81 | CA1 (0.43) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL3151434 | 0.81 | CA1 (0.43) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL6202245 | 0.81 | CA1 (0.43) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL18793620 | 0.80 | CA12 (0.42) | CA1CA2CA7CTSKCTSS |
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 5 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-0648205-B1 | PEPTIDYL DERIVATIVES AS METALLOPROTEINASE INHIBITORS | CELLTECH THERAPEUTICS LTD (GB) | 1999-07-14 | — | — | EP | disclosed |
| EP-0784629-B1 | PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES | DARWIN DISCOVERY LTD (GB) | 1999-04-28 | — | — | EP | disclosed |
| US-5714491-A | ANTICANCER AND ANTITUMOR AGENT | CELLTECH THERAPEUTICS LIMITED (GB) | 1998-02-03 | — | — | US | disclosed |