Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 5/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL248225 | 1.00 | IDO1 (0.50) | IDO1CYP3A4CYP1A2CYP2C9MAPK1 | |
| SCHEMBL6033569 | 0.83 | IDO1 (0.54) | IDO1CYP3A4CYP1A2CYP2C9MAPK1 | |
| SCHEMBL28743558 | 0.80 | IDO1 (0.50) | IDO1CYP3A4CYP1A2CYP2C9MAPK1 | |
| SCHEMBL28225201 | 0.80 | IDO1 (0.50) | IDO1CYP3A4CYP1A2CYP2C9MAPK1 | |
| SCHEMBL4997086 | 0.76 | IDO1 (0.50) | IDO1CYP3A4CYP1A2CYP2C9MAPK1 | |
| SCHEMBL30956678 | 0.75 | IDO1 (0.54) | IDO1CYP3A4CYP1A2CYP2C9MAPK1 | |
| SCHEMBL11457798 | 0.75 | TAAR1 (0.54) | IDO1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29439097 | 0.75 | IDO1 (0.54) | IDO1CYP3A4CYP1A2CYP2C9MAPK1 | |
| SCHEMBL4110103 | 0.75 | IDO1 (0.54) | IDO1CYP3A4CYP1A2CYP2C9MAPK1 | |
| SCHEMBL895205 | 0.75 | IDO1 (0.54) | IDO1CYP3A4CYP1A2CYP2C9MAPK1 |
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-1053218-A1 | DIOL COMPOUNDS AS INTERMEDIATES FOR PREPARING ANTIMYCOTIC COMPOUNDS | ZAMBON GROUP S.p.A. (IT) | 2000-11-22 | — | — | EP | disclosed |
| WO-1999029645-A1 | DIOL COMPOUNDS AS INTERMEDIATES FOR PREPARING ANTIMYCOTIC COMPOUNDS | ZAMBON GROUP S.P.A. (IT) | 1999-06-17 | — | — | WO | disclosed |