Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 6/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3690478 | 0.84 | IDO1 (0.53) | IDO1SMN1; SMN2CYP2D6NOS1NOS3 | |
| Iodide SCHEMBL4005261 | 0.81 | IDO1 (0.52) | IDO1SMN1; SMN2CYP2D6NOS1NOS3 | |
| SCHEMBL15743841 | 0.80 | ACHE (0.39) | SMN1; SMN2HAO1TSHRACHEMAPT | |
| SCHEMBL14919249 | 0.78 | MAPT (0.41) | CYP3A4HAO1TSHRACHEMAPT | |
| SCHEMBL2253699 | 0.77 | MAPT (0.40) | CYP3A4HAO1TSHRACHEMAPT | |
| SCHEMBL30876196 | 0.77 | MAPT (0.40) | CYP3A4HAO1TSHRACHEMAPT | |
| SCHEMBL15291365 | 0.75 | IDO1 (0.41) | IDO1TP53CYP2D6MAPTKDM4E | |
| O-Xylene SCHEMBL27502292 | 0.73 | ACHE (0.62) | CYP3A4TSHRACHEMAPTALDH1A1 | |
| SCHEMBL7464332 | 0.72 | ICAM1 (0.36) | SMN1; SMN2TSHRMAPTALDH1A1HPGD | |
| Urea SCHEMBL28254322 | 0.71 | ICAM1 (0.50) | IDO1SMN1; SMN2HAO1TSHRACHE |
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-0117961-B1 | HETEROCYCLIC DERIVATIVES SUBSTITUTED BY AN AMINO RADICAL, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Albert ROLLAND S.A. Société dite (FR) | 1991-04-03 | — | — | EP | disclosed |
| EP-0117961-A1 | Heterocyclic derivatives substituted by an amino radical, processes for their preparation and pharmaceutical compositions containing them | Albert ROLLAND S.A. Société dite (FR) | 1984-09-12 | — | — | EP | disclosed |