Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 2/20 | 0.47 |
| ▸ | CTSB | P07858 | 2/20 | 0.47 |
| ▸ | CTSS | P25774 | 2/20 | 0.47 |
| ▸ | ACACB | O00763 | 1/20 | 0.47 |
| ▸ | CALCA | P06881 | 2/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.46 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 8/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | ITGAV | P06756 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30799347 | 1.00 | CTSL (0.47) | CTSLCTSBCTSSACACBCALCA | |
| SCHEMBL13030965 | 1.00 | CTSL (0.47) | CTSLCTSBCTSSACACBCALCA | |
| SCHEMBL31628221 | 0.93 | ALDH1A1 (0.49) | CTSLCTSBCTSSACACBCALCA | |
| SCHEMBL178752 | 0.93 | ALDH1A1 (0.49) | CTSLCTSBCTSSACACBCALCA | |
| SCHEMBL23564698 | 0.93 | ALDH1A1 (0.49) | CTSLCTSBCTSSACACBCALCA | |
| SCHEMBL4500163 | 0.87 | CTSL (0.50) | CTSLCTSBCTSSCTSKTACR1 | |
| SCHEMBL4508424 | 0.84 | CALCRL (0.44) | CTSLCTSBCTSSACACBCALCA | |
| SCHEMBL4508428 | 0.84 | CTSL (0.47) | CTSLCTSBCTSSCTSKALDH1A1 | |
| SCHEMBL13756221 | 0.84 | CTSL (0.47) | CTSLCTSBCTSSCTSKALDH1A1 | |
| SCHEMBL140431 | 0.84 | ACACB (0.50) | ACACBCALCA |
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 |
|---|---|---|---|---|---|---|---|
| CN-117551081-A | New preparation method of migraine therapeutic drug | 北京康立生医药技术开发有限公司 | 2024-02-13 | — | — | CN | disclosed |