Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 10/20 | 0.44 |
| ▸ | MMP1 | P03956 | 7/20 | 0.44 |
| ▸ | MMP9 | P14780 | 7/20 | 0.44 |
| ▸ | MMP13 | P45452 | 7/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | MMP3 | P08254 | 6/20 | 0.42 |
| ▸ | MMP7 | P09237 | 6/20 | 0.42 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.42 |
| ▸ | MMP14 | P50281 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 2/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16124948 | 0.83 | CA2 (0.46) | MMP2MMP1MMP9MMP13CA2 | |
| SCHEMBL17674064 | 0.79 | PLCG1 (0.42) | MMP2MMP1MMP9MMP13CA2 | |
| SCHEMBL32038 | 0.79 | MMP2 (0.55) | MMP2MMP1MMP9MMP13CA2 | |
| SCHEMBL17674396 | 0.72 | CA2 (0.44) | MMP2MMP1MMP9MMP13CA2 | |
| SCHEMBL9628601 | 0.72 | CA2 (0.52) | MMP2MMP1MMP9MMP13CA2 | |
| SCHEMBL29025607 | 0.71 | CA2 (0.56) | MMP2MMP1MMP9MMP13CA2 | |
| SCHEMBL152957 | 0.70 | MMP2 (0.53) | MMP2MMP1MMP9MMP13CA2 | |
| Hydrochloric Acid SCHEMBL9628587 | 0.70 | CA2 (0.50) | MMP2MMP1MMP9MMP13CA2 | |
| Butanol SCHEMBL7694187 | 0.69 | CYP1A2 (0.47) | MMP2MMP1MMP9MMP13CA2 | |
| SCHEMBL10767453 | 0.69 | MMP2 (0.49) | MMP2MMP1MMP9MMP13CA2 |
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-2016054807-A1 | TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF | MERCK SHARP & DOHME CORP. (US) | 2016-04-14 | — | — | WO | disclosed |