Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 10/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | TPSAB1 | Q15661 | 2/20 | 0.61 |
| ▸ | PLG | P00747 | 1/20 | 0.61 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.61 |
| ▸ | CTSS | P25774 | 6/20 | 0.57 |
| ▸ | CTSL | P07711 | 4/20 | 0.57 |
| ▸ | CTSB | P07858 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL11702018 | 0.93 | CYP1A2 (0.58) | CTSKCYP1A2TPSAB1PLGPRSS1 | |
| SCHEMBL8502694 | 0.93 | CYP1A2 (0.58) | CTSKCYP1A2TPSAB1PLGPRSS1 | |
| SCHEMBL10954836 | 0.93 | CA5A (0.62) | CTSKCYP1A2TPSAB1PLGPRSS1 | |
| SCHEMBL10957418 | 0.93 | CYP1A2 (0.58) | CTSKCYP1A2TPSAB1PLGPRSS1 | |
| SCHEMBL15318479 | 0.93 | CA5A (0.62) | CTSKCYP1A2TPSAB1PLGPRSS1 | |
| SCHEMBL4075738 | 0.91 | CYP1A2 (0.62) | CTSKCYP1A2TPSAB1PLGPRSS1 | |
| SCHEMBL10954266 | 0.91 | CA5A (0.60) | CTSKCYP1A2TPSAB1PLGPRSS1 | |
| SCHEMBL12294550 | 0.91 | CYP2D6 (0.62) | CTSKCYP1A2TPSAB1PLGPRSS1 | |
| SCHEMBL30387033 | 0.90 | SYK (0.63) | CTSKCYP1A2TPSAB1PLGPRSS1 | |
| SCHEMBL10953796 | 0.90 | CYP1A2 (0.61) | CTSKCYP1A2TPSAB1PLGPRSS1 |
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-5461176-A | Reacting alanine methyl ester with oxalyl chloride, treating with ammonia in methanol, reducing amides with diborane in tetrahydrofuran, neutralizing with sodium ethoxide to yield free amine | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-10-24 | — | — | US | disclosed |