Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1401627 | 0.83 | AKR1B1 (0.58) | AKR1B1KMT2AADRA2AMEN1LMNA | |
| SCHEMBL9911546 | 0.80 | CTBP2 (0.51) | KMT2ALMNAMAPK1MAPTALDH1A1 | |
| SCHEMBL11243678 | 0.79 | AKR1B1 (0.68) | AKR1B1KMT2AADRA2AMEN1LMNA | |
| SCHEMBL2421854 | 0.77 | AKR1B1 (0.65) | AKR1B1KMT2AADRA2AMEN1LMNA | |
| SCHEMBL2525484 | 0.74 | AKR1B1 (0.68) | AKR1B1KMT2AADRA2AMEN1LMNA | |
| SCHEMBL109215 | 0.74 | AKR1B1 (1.00) | AKR1B1KMT2AADRA2AMEN1LMNA | |
| SCHEMBL7644229 | 0.73 | AKR1B1 (0.50) | AKR1B1KMT2AADRA2AMEN1LMNA | |
| SCHEMBL4685080 | 0.72 | AKR1B1 (0.65) | AKR1B1KMT2AADRA2AMEN1LMNA | |
| SCHEMBL9272252 | 0.72 | AKR1B1 (0.65) | AKR1B1KMT2AADRA2AMEN1LMNA | |
| Hydrochloric Acid SCHEMBL1374156 | 0.72 | AKR1B1 (0.95) | AKR1B1KMT2AADRA2AMEN1LMNA |
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 3 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 |
| 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 |