Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.68 |
| ▸ | BLM | P54132 | 2/20 | 0.66 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.66 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 5/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.52 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.48 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9264551 | 1.00 | CYP3A4 (0.68) | CYP3A4CYP1A2CYP2D6BLMPMP22 | |
| SCHEMBL9269718 | 1.00 | CYP3A4 (0.68) | CYP3A4CYP1A2CYP2D6BLMPMP22 | |
| Hydrochloric Acid SCHEMBL27311591 | 0.99 | PMP22 (0.68) | CYP3A4CYP1A2CYP2D6BLMPMP22 | |
| Hydrochloric Acid SCHEMBL9574595 | 0.99 | PMP22 (0.68) | CYP3A4CYP1A2CYP2D6BLMPMP22 | |
| Ethyl Acetate SCHEMBL9271914 | 0.87 | PMP22 (0.53) | CYP3A4CYP1A2CYP2D6BLMPMP22 | |
| SCHEMBL8828369 | 0.86 | CYP3A4 (0.68) | CYP3A4CYP1A2CYP2D6BLMPMP22 | |
| SCHEMBL9263255 | 0.86 | CYP3A4 (0.68) | CYP3A4CYP1A2CYP2D6BLMPMP22 | |
| SCHEMBL9262392 | 0.86 | CYP3A4 (0.68) | CYP3A4CYP1A2CYP2D6BLMPMP22 | |
| SCHEMBL9212854 | 0.85 | CYP3A4 (0.76) | CYP3A4CYP1A2CYP2D6BLMPMP22 | |
| SCHEMBL9157545 | 0.84 | CYP3A4 (0.64) | CYP3A4CYP1A2CYP2D6BLMPMP22 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1031754-C | Dithiane | HOFFMANN LA ROCHE (CH) | 1996-05-08 | — | — | CN | disclosed |
| US-5430059-A | Treating heart disease | EISAI CO., LTD. (JP) | 1995-07-04 | — | — | US | disclosed |
| US-5405866-A | Administering with cytostatic drugs to treat drug resistant tumors | HOFFMANN-LA ROCHE INC. (US) | 1995-04-11 | — | — | US | disclosed |
| EP-0399358-B1 | Butenoic acid derivatives | EISAI CO LTD (JP) | 1995-03-08 | — | — | EP | disclosed |
| EP-0633248-A1 | Butenoic acid derivatives | Eisai Co., Ltd. (JP) | 1995-01-11 | — | — | EP | disclosed |
| US-5302727-A | For use with antitumor agents | HOFFMANN-LA ROCHE INC. (US) | 1994-04-12 | — | — | US | disclosed |
| EP-0589491-A1 | Butenoic acid derivatives | Eisai Co., Ltd. (JP) | 1994-03-30 | — | — | EP | disclosed |
| US-5292770-A | Butenoic acid derivatives | EISAI CO., LTD. (JP) | 1994-03-08 | — | — | US | disclosed |
| CN-1068569-A | DITHIANE | HOFFMANN LA ROCHE (CH) | 1993-02-03 | — | — | CN | disclosed |
| EP-0523493-A1 | Dithianes | F. HOFFMANN-LA ROCHE AG (CH) | 1993-01-20 | — | — | EP | disclosed |
| US-5166188-A | Cardiovascular disorders, antiischemic agents | EISAI CO., LTD. (JP) | 1992-11-24 | — | — | US | disclosed |
| EP-0399358-A2 | Butenoic acid derivatives | Eisai Co., Ltd. (JP) | 1990-11-28 | — | — | EP | disclosed |
| US-4127588-A | Sulphur containing derivatives | HOFFMANN-LA ROCHE INC. (US) | 1978-11-28 | — | — | US | disclosed |
| US-4073797-A | CORONARY DILATOR | HOFFMANN-LA ROCHE INC. (US) | 1978-02-14 | — | — | US | disclosed |
| US-4003914-A | DITHIANE AND DISULFONE CORONARY DILATING AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1977-01-18 | — | — | US | disclosed |