Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 5/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | RELA | Q04206 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | DCK | P27707 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17384532 | 0.72 | CYSLTR1 (0.38) | RAB9AMAPTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL2097189 | 0.70 | CYP1A1 (0.68) | CYP1A1CYP1B1NPC1RAB9AMAPT | |
| SCHEMBL2097185 | 0.68 | CYP1A1 (0.64) | CYP1A1CYP1B1NPC1RAB9AMAPT | |
| SCHEMBL21916989 | 0.68 | HDAC3 (0.38) | CYP1A1CYP1B1NPC1RAB9AMAPT | |
| SCHEMBL15477792 | 0.68 | CYP1A1 (0.68) | CYP1A1CYP1B1NPC1RAB9AMAPT | |
| SCHEMBL19787478 | 0.65 | MAOB (0.47) | — | |
| SCHEMBL30557661 | 0.64 | CYP1A1 (0.75) | CYP1A1CYP1B1NPC1RAB9AMAPT | |
| SCHEMBL1821573 | 0.64 | CYP1A1 (0.75) | CYP1A1CYP1B1NPC1RAB9AMAPT | |
| SCHEMBL14765472 | 0.64 | PPARD (0.56) | CYP1A1CYP1B1NPC1RAB9AMAPT | |
| SCHEMBL23743244 | 0.63 | CYP1A1 (1.00) | CYP1A1CYP1B1NPC1RAB9AMAPT |
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-3628672-A1 | INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION | Antabio SAS (FR) | 2020-04-01 | — | — | EP | disclosed |