Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CTSK | P43235 | 5/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL214266 | 0.85 | CTSK (0.36) | CA1CA2CA7HTTCTSK | |
| SCHEMBL211091 | 0.85 | CTSK (0.36) | CA1CA2CA7HTTCTSK | |
| SCHEMBL19522705 | 0.81 | SYK (0.41) | CA1CA2CA7HTTCTSK | |
| SCHEMBL2727027 | 0.78 | CA2 (0.37) | CA1CA2CA7HTTCTSK | |
| SCHEMBL212600 | 0.78 | CA2 (0.37) | CA1CA2CA7HTTCTSK | |
| SCHEMBL212599 | 0.78 | CA2 (0.37) | CA1CA2CA7HTTCTSK | |
| SCHEMBL23487152 | 0.77 | CTSK (0.43) | CA1CA2CA7HTTCTSK | |
| SCHEMBL385450 | 0.77 | CA2 (0.41) | CA1CA2CA7HTTCTSK | |
| SCHEMBL2323213 | 0.77 | CA2 (0.41) | CA1CA2CA7HTTCTSK | |
| SCHEMBL6917401 | 0.77 | CA2 (0.41) | CA1CA2CA7HTTCTSK |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0145875-A2 | Gamma-aminobutyric acid transaminase inhibitors and processes for their preparation | MERRELL DOW PHARMACEUTICALS INC. (US) | 1985-06-26 | — | — | EP | claimed |
| EP-0145875-B1 | GAMMA-AMINOBUTYRIC ACID TRANSAMINASE INHIBITORS AND PROCESSES FOR THEIR PREPARATION | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-02-19 | — | — | EP | disclosed |
| US-4588825-A | Intermediates for the synthesis of 4-amino-4,5-dihydro-2-furancarboxylic acid | MERRELL DOW PHARMACEUTICALS INC. (US) | 1986-05-13 | — | — | US | disclosed |
| EP-0145875-A2 | Gamma-aminobutyric acid transaminase inhibitors and processes for their preparation | MERRELL DOW PHARMACEUTICALS INC. (US) | 1985-06-26 | — | — | EP | disclosed |