Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 2/20 | 0.47 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 5/20 | 0.45 |
| ▸ | CTSS | P25774 | 5/20 | 0.45 |
| ▸ | CTSB | P07858 | 2/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | PLAU | P00749 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2406039 | 0.84 | ATM (0.65) | CA2CA1ACHEATMCTSL | |
| SCHEMBL8101142 | 0.83 | KLK1 (0.55) | ATMCTSLCTSSCTSBELANE | |
| SCHEMBL2402462 | 0.83 | KLK1 (0.55) | ATMCTSLCTSSCTSBELANE | |
| SCHEMBL7306729 | 0.81 | CXCR2 (0.50) | CA2CA1CXCR2CTSSCTSK | |
| SCHEMBL7980314 | 0.81 | CXCR2 (0.37) | CA2CA1ACHEATMCXCR2 | |
| SCHEMBL7318182 | 0.79 | ITGB3 (0.61) | MEN1LMNAKMT2A | |
| SCHEMBL15020052 | 0.79 | ITGB3 (0.61) | MEN1LMNAKMT2A | |
| SCHEMBL7970777 | 0.78 | CTSL (0.57) | ATMCTSLCTSSCTSBCTSK | |
| SCHEMBL2861260 | 0.77 | ALDH1A1 (0.56) | CTSLCTSSCTSBCYP3A4CTSK | |
| SCHEMBL2419128 | 0.77 | ALDH1A1 (0.56) | CTSLCTSSCTSBCYP3A4CTSK |
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 |
|---|---|---|---|---|---|---|---|
| US-6284912-B1 | Process for synthesizing para-and/or meta-substituted cyanophenyalanine derivatives | LG CHEMICAL, LTD. (KR) | 2001-09-04 | — | — | US | claimed |