Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 3/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMURF2 | Q9HAU4 | 1/20 | 0.33 |
| ▸ | SMURF1 | Q9HCE7 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9912402 | 0.81 | JAK3 (0.34) | SLC6A2SLC6A4SLC6A3TP53CYP1A2 | |
| SCHEMBL9912470 | 0.79 | NPC1 (0.36) | SMURF2SMURF1NPC1NFKB1RAB9A | |
| SCHEMBL878961 | 0.72 | CA1 (0.51) | SMURF2SMURF1NPC1RAB9AMAPT | |
| SCHEMBL9612039 | 0.71 | SLC6A2 (0.35) | SLC6A2SLC6A4SLC6A3TP53CYP1A2 | |
| SCHEMBL11407168 | 0.70 | JAK3 (0.38) | CYP1A2CYP2C19MAPK1SMURF2SMURF1 | |
| SCHEMBL11149788 | 0.69 | HDAC3 (0.43) | CYP1A2MAPK1NPC1RAB9AMEN1 | |
| SCHEMBL11283209 | 0.69 | NPC1 (0.43) | CYP1A2CYP2C19MAPK1NPC1NFKB1 | |
| SCHEMBL11160172 | 0.69 | JAK3 (0.37) | CYP1A2CYP2C19MAPK1NPC1NFKB1 | |
| Iodide SCHEMBL11277436 | 0.69 | JAK3 (0.38) | CYP1A2CYP2C19MAPK1SMURF2SMURF1 | |
| SCHEMBL9610075 | 0.68 | DGAT1 (0.42) | PDK1PDK2PDK3PDK4TP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-8198458-B2 | Non-nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-12 | — | — | US | disclosed |
| US-7517998-B2 | Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus | BOEHRINGER INGELHEIM INTERNATIONAL GMBH | 2009-04-14 | — | — | US | disclosed |