Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 4/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 4/20 | 0.33 |
| ▸ | CTSK | P43235 | 4/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | GLS | O94925 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL166624 | 0.81 | TDP1 (0.58) | TDP1MEN1GAAKMT2AMAOA | |
| SCHEMBL16263827 | 0.80 | TDP1 (0.41) | TDP1MEN1GAAKMT2AMAOA | |
| SCHEMBL8446923 | 0.80 | TDP1 (0.46) | TDP1MEN1GAAKMT2AMAOA | |
| SCHEMBL604019 | 0.79 | TDP1 (0.39) | TDP1MEN1GAAKMT2ACA1 | |
| SCHEMBL8169567 | 0.78 | TDP1 (0.37) | TDP1MEN1GAAKMT2AMAOA | |
| SCHEMBL349682 | 0.74 | KDM4E (0.34) | — | |
| Acetic Acid SCHEMBL3489390 | 0.74 | MEN1 (0.38) | TDP1MEN1GAAKMT2ACA1 | |
| SCHEMBL8233731 | 0.74 | TDP1 (0.36) | TDP1MEN1GAAKMT2ACA1 | |
| Guanidine SCHEMBL18128882 | 0.74 | MAOA (0.39) | TDP1MEN1GAAKMT2AMAOA | |
| SCHEMBL30549392 | 0.73 | MEN1 (0.55) | TDP1MEN1GAAKMT2AMAOA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0832076-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996038426-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-12-05 | — | — | WO | disclosed |