Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | CTSK | P43235 | 10/20 | 0.44 |
| ▸ | CTSS | P25774 | 6/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CTSD | P07339 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10655184 | 1.00 | CA1 (0.47) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL10659026 | 0.88 | CA1 (0.47) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL10653712 | 0.88 | CA1 (0.47) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL14923549 | 0.87 | CA1 (0.53) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL10657884 | 0.87 | CA1 (0.44) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL10655242 | 0.87 | CA1 (0.44) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL10655179 | 0.86 | CA2 (0.46) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL10655864 | 0.86 | CA2 (0.46) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL10657298 | 0.85 | CA1 (0.45) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL10656571 | 0.85 | CA1 (0.53) | CA1CA2CA7CTSKCTSS |
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-4746649-A | Diamino acid derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1988-05-24 | — | — | US | disclosed |
| EP-0161588-A2 | Diamino acid derivatives | MERCK PATENT GmbH (DE) | 1985-11-21 | — | — | EP | disclosed |