Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | NPC1 | O15118 | 5/20 | 0.52 |
| ▸ | RAB9A | P51151 | 5/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | PAX8 | Q06710 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | MITF | O75030 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17205180 | 0.95 | ALDH1A1 (0.50) | ALDH1A1NPC1RAB9AKMT2AHTT | |
| SCHEMBL8954554 | 0.87 | NPSR1 (0.47) | ALDH1A1NPC1RAB9AKMT2AHTT | |
| SCHEMBL9872306 | 0.85 | ALDH1A1 (0.66) | ALDH1A1NPC1RAB9AKMT2AHTT | |
| SCHEMBL5873285 | 0.85 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9AKMT2AHTT | |
| SCHEMBL27486724 | 0.82 | LTB4R2 (0.50) | ALDH1A1NPC1RAB9AKMT2AHTT | |
| SCHEMBL10490218 | 0.81 | ALDH1A1 (0.70) | ALDH1A1NPC1RAB9AKMT2AHTT | |
| SCHEMBL10490440 | 0.79 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9AKMT2AHTT | |
| SCHEMBL109362 | 0.79 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9AKMT2AHTT | |
| SCHEMBL8131251 | 0.79 | NPC1 (0.51) | ALDH1A1NPC1RAB9AKMT2AHTT | |
| SCHEMBL30810407 | 0.79 | NPC1 (0.51) | ALDH1A1NPC1RAB9AKMT2AHTT |
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-3134088-A1 | BICYLCIC PYRAZOLONE COMPOUNDS AND METHODS OF USE | Calitor Sciences, LLC (US) | 2017-03-01 | — | — | EP | disclosed |
| WO-2015164161-A1 | BICYLCIC PYRAZOLONE COMPOUNDS AND METHODS OF USE | CALITOR SCIENCES, LLC (US) | 2015-10-29 | — | — | WO | disclosed |