Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 2/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9911352 | 0.80 | SIGMAR1 (0.42) | SIGMAR1CYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL3271284 | 0.79 | SIGMAR1 (0.48) | SIGMAR1LTA4HPARP1POLBCYP2C19 | |
| SCHEMBL14370053 | 0.78 | CA2 (0.41) | POLBCYP3A4CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL9911347 | 0.77 | GPR84 (0.43) | SIGMAR1 | |
| SCHEMBL9912443 | 0.76 | CYP3A4 (0.50) | POLBCYP3A4CYP2C19MEN1KMT2A | |
| SCHEMBL8443205 | 0.76 | LMNA (0.48) | SIGMAR1LTA4HPARP1POLBSMN1; SMN2 | |
| SCHEMBL9911467 | 0.73 | ERCC1 (0.54) | CYP3A4CYP2C19ALDH1A1MEN1KMT2A | |
| SCHEMBL22899588 | 0.73 | SIGMAR1 (0.65) | SIGMAR1POLBCYP3A4SMN1; SMN2HRH1 | |
| SCHEMBL13164692 | 0.73 | ALDH1A1 (0.49) | SIGMAR1LTA4HPARP1SMN1; SMN2SLC2A1 | |
| SCHEMBL143708 | 0.73 | SIGMAR1 (0.65) | SIGMAR1POLBCYP3A4SMN1; SMN2HRH1 |
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 |