Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PYCR1 | P32322 | 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 | |
|---|---|---|---|---|
| SCHEMBL13165989 | 0.83 | IDO1 (0.48) | IDO1CYP3A4CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL13165987 | 0.83 | IDO1 (0.48) | IDO1CYP3A4CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL18925059 | 0.81 | ALOX15 (0.55) | IDO1CYP3A4CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL2659771 | 0.80 | IDO1 (0.54) | IDO1CYP3A4CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL24966612 | 0.79 | SLC6A2 (0.46) | IDO1HTTSMN1; SMN2LMNA | |
| SCHEMBL10587518 | 0.78 | IDO1 (0.47) | IDO1CYP3A4CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL3437067 | 0.78 | IDO1 (0.47) | IDO1CYP3A4CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL15083013 | 0.78 | EPHX1 (0.48) | IDO1CYP3A4CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL14271143 | 0.78 | HTR2A (0.56) | IDO1CYP3A4CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL5003267 | 0.77 | HTR2A (0.54) | IDO1CYP3A4CYP1A2CYP2C19CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2731608-B1 | INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM | MICROBIOTIX INC (US) | 2018-03-14 | — | — | EP | disclosed |