Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 4/20 | 0.48 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9628574 | 0.92 | HTR2C (0.46) | HTR2COPRL1ALDH1A1TAS1R3TAS1R1 | |
| SCHEMBL9627446 | 0.90 | HTR2C (0.44) | HTR2COPRL1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL3794742 | 0.84 | OPRL1 (0.41) | HTR2COPRL1PDK2PDK4 | |
| SCHEMBL930208 | 0.78 | ALDH1A1 (0.54) | HTR2COPRL1ALDH1A1TAS1R3TAS1R1 | |
| SCHEMBL16956125 | 0.77 | HTR2C (0.74) | HTR2COPRL1ALDH1A1PDK2PDK4 | |
| SCHEMBL1273995 | 0.77 | HTR2A (0.48) | HTR2COPRL1MEN1KMT2A | |
| SCHEMBL1225741 | 0.77 | HTR2C (0.72) | HTR2COPRL1KCNH2 | |
| SCHEMBL16958457 | 0.76 | HTR2C (0.50) | HTR2COPRL1ALDH1A1PDK2PDK4 | |
| SCHEMBL14824862 | 0.75 | NOTUM (0.35) | HTR2COPRL1PDK2PDK4 | |
| SCHEMBL3792040 | 0.75 | CEL (0.48) | HTR2COPRL1PDK2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |
| 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 |