Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.48 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.48 |
| ▸ | ITGAV | P06756 | 1/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.48 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MIF | P14174 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.38 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.38 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | NMT1 | P30419 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28003899 | 0.83 | ITGB3 (0.55) | ITGB3ITGB1ITGAVITGA2BITGB5 | |
| SCHEMBL28004254 | 0.83 | ITGB3 (0.55) | ITGB3ITGB1ITGAVITGA2BITGB5 | |
| Methyl Alcohol SCHEMBL8740642 | 0.82 | ITGB3 (0.54) | ITGB3ITGB1ITGAVITGA2BITGB5 | |
| SCHEMBL14348476 | 0.81 | ITGB3 (0.36) | ITGB3ITGB1ITGAVITGA2BITGB5 | |
| SCHEMBL8096813 | 0.77 | ALDH1A1 (0.41) | KDM4EALDH1A1KMT2APKMSMN1; SMN2 | |
| SCHEMBL12597166 | 0.76 | KDM4E (0.57) | ITGB3ITGB1ITGAVITGA2BITGB5 | |
| SCHEMBL9911341 | 0.76 | MAPK1 (0.61) | ESR1KDM4EALDH1A1KMT2AMAPK1 | |
| SCHEMBL30278658 | 0.75 | CYP1A1 (0.55) | ITGB3ITGB1ITGAVITGA2BITGB5 | |
| SCHEMBL584566 | 0.75 | CYP1A1 (0.55) | ITGB3ITGB1ITGAVITGA2BITGB5 | |
| SCHEMBL584565 | 0.75 | CYP1A1 (0.55) | ITGB3ITGB1ITGAVITGA2BITGB5 |
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 |