Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 10/20 | 0.48 |
| ▸ | CTSS | P25774 | 7/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SELP | P16109 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16976277 | 0.92 | CTSK (0.49) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL25946274 | 0.87 | CTSK (0.47) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11166014 | 0.86 | CTSK (0.52) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8747641 | 0.86 | CTSK (0.52) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL13286586 | 0.85 | CTSK (0.56) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL31250500 | 0.85 | CTSK (0.49) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30483892 | 0.85 | BMP1 (0.48) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL13159728 | 0.84 | CTSS (0.46) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1317487 | 0.84 | CYP1A2 (0.49) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6337223 | 0.84 | PPARA (0.47) | CTSKCTSSCYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |