Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.45 |
| ▸ | CDK2 | P24941 | 2/20 | 0.45 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 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 | |
|---|---|---|---|---|
| SCHEMBL9526026 | 0.93 | ALDH1A1 (0.48) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL9523046 | 0.90 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL14630 | 0.89 | TP53 (0.48) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL14797 | 0.89 | ALDH1A1 (0.49) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL12276272 | 0.89 | ALDH1A1 (0.48) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL7795 | 0.89 | ALDH1A1 (0.55) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL6648 | 0.88 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL9525320 | 0.88 | ALDH1A1 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL14730 | 0.88 | CCNA2 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL12275532 | 0.85 | ALDH1A1 (0.48) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E |
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-0420883-B1 | TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION | ERBA CARLO SPA (IT) | 1993-11-03 | — | — | EP | disclosed |
| US-5166152-A | Immunostimulants, bactericides, viricides, antitumor agents | FARMITALIA CARLO ERBA S.R.L. (IT) | 1992-11-24 | — | — | US | disclosed |
| EP-0420883-A1 | TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION. | ERBA CARLO SPA (IT) | 1991-04-10 | — | — | EP | disclosed |
| WO-1989012638-A1 | TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION | FARMITALIA CARLO ERBA S.R.L. (IT) | 1989-12-28 | — | — | WO | disclosed |