Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 2/20 | 0.58 |
| ▸ | CTSS | P25774 | 2/20 | 0.58 |
| ▸ | TGM2 | P21980 | 7/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | CASP6 | P55212 | 1/20 | 0.46 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL9825798 | 0.91 | CTSL (0.59) | CTSLCTSSTGM2CYP1A2CTSB | |
| SCHEMBL4598571 | 0.90 | TGM2 (0.68) | CTSLCTSSTGM2CYP1A2CTSB | |
| SCHEMBL9825197 | 0.88 | CTSL (0.57) | CTSLCTSSTGM2CYP1A2CTSB | |
| SCHEMBL9825509 | 0.87 | TGM2 (0.58) | CTSLCTSSTGM2CYP1A2ITGB3 | |
| SCHEMBL9826129 | 0.85 | CTSL (0.54) | CTSLCTSSTGM2CYP1A2CTSB | |
| SCHEMBL9825560 | 0.85 | TGM2 (0.56) | TGM2CYP1A2ITGB3ITGAV | |
| SCHEMBL9825343 | 0.85 | TGM2 (0.75) | CTSLCTSSTGM2CTSB | |
| SCHEMBL4936394 | 0.85 | TGM2 (0.75) | CTSLCTSSTGM2CTSB | |
| SCHEMBL9826302 | 0.84 | TGM2 (0.63) | TGM2CYP1A2CASP1ITGB3ITGAV | |
| SCHEMBL9825959 | 0.84 | TGM2 (0.66) | CTSLCTSSTGM2CYP1A2CTSB |
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-0237082-B1 | 3,5-DISUBSTITUTED 4,5-DIHYDROISOXAZOLES AS TRANSGLUTAMINASE INHIBITORS | SYNTEX (U.S.A.) INC. (US) | 1991-05-29 | — | — | EP | disclosed |
| US-4929630-A | SKIN DISORDERS, ACNE, 4,5-DIHYDROISOOXAZOLE PEPTIDES | SYNTEX (U.S.A.) INC. (US) | 1990-05-29 | — | — | US | disclosed |
| US-4912120-A | Containing amine and amide substitution | SYNTEX (U.S.A.) INC. (US) | 1990-03-27 | — | — | US | disclosed |
| EP-0237082-A2 | 3,5-disubstituted 4,5-dihydroisoxazoles as transglutaminase inhibitors | SYNTEX (U.S.A.) INC. (US) | 1987-09-16 | — | — | EP | disclosed |