Known targets — ChEMBL curated mechanism
823298382338688239847Rdl1Rdl2Rdl3
The experimentally established mechanism targets of Rotenone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 11/20 | 0.93 |
| ▸ | MAPT | P10636 | 8/20 | 0.93 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.93 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.93 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.93 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.93 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.93 |
| ▸ | LMNA | P02545 | 4/20 | 0.93 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.93 |
| ▸ | TP53 | P04637 | 4/20 | 0.93 |
| ▸ | USP2 | O75604 | 4/20 | 0.93 |
| ▸ | TSHR | P16473 | 3/20 | 0.93 |
| ▸ | MT-ND4 | P03905 | 3/20 | 0.93 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.93 |
| ▸ | NPC1 | O15118 | 2/20 | 0.93 |
| ▸ | RAB9A | P51151 | 2/20 | 0.93 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.93 |
| ▸ | HPGD | P15428 | 2/20 | 0.93 |
| ▸ | GMNN | O75496 | 1/20 | 0.93 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.93 |
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 | |
|---|---|---|---|---|
| Rotenone SCHEMBL29388856 | 0.96 | CYP3A4 (1.00) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| Rotenone SCHEMBL29351552 | 0.96 | CYP3A4 (1.00) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| Rotenone SCHEMBL13845713 | 0.96 | CYP3A4 (1.00) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| Rotenone SCHEMBL13926662 | 0.96 | CYP3A4 (1.00) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| Rotenone SCHEMBL9815546 | 0.96 | CYP3A4 (1.00) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| Rotenone SCHEMBL20152380 | 0.96 | CYP3A4 (1.00) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| Rotenone SCHEMBL42253 | 0.96 | CYP3A4 (1.00) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| Rotenone SCHEMBL19019920 | 0.96 | CYP3A4 (1.00) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| Rotenone SCHEMBL5490007 | 0.96 | CYP3A4 (0.98) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E | |
| Rotenone SCHEMBL7142434 | 0.94 | CYP3A4 (0.95) | CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E |
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-0907666-A1 | PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS | G.D. Searle & Co. (US) | 1999-04-14 | — | — | EP | disclosed |
| WO-1997049736-A2 | PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS | G.D. SEARLE AND CO. (US) | 1997-12-31 | — | — | WO | disclosed |