Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.36 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10546615 | 0.87 | ABCB1 (0.39) | ABCB1ALDH1A1SMN1; SMN2TAS1R3TAS1R1 | |
| SCHEMBL10546620 | 0.87 | ABCB1 (0.39) | ABCB1ALDH1A1SMN1; SMN2TAS1R3TAS1R1 | |
| SCHEMBL5336696 | 0.81 | ABCB1 (0.49) | ABCB1ALDH1A1SMN1; SMN2CA1CA2 | |
| SCHEMBL18073447 | 0.81 | ALDH1A1 (0.61) | ABCB1ALDH1A1SMN1; SMN2CA1CA2 | |
| SCHEMBL2910879 | 0.81 | ALDH1A1 (0.61) | ABCB1ALDH1A1SMN1; SMN2CA1CA2 | |
| SCHEMBL2910883 | 0.81 | ALDH1A1 (0.61) | ABCB1ALDH1A1SMN1; SMN2CA1CA2 | |
| SCHEMBL5336688 | 0.81 | ABCB1 (0.49) | ABCB1ALDH1A1SMN1; SMN2CA1CA2 | |
| SCHEMBL28652549 | 0.79 | ABCB1 (0.47) | ABCB1ALDH1A1SMN1; SMN2CA1CA2 | |
| SCHEMBL28652551 | 0.79 | ABCB1 (0.47) | ABCB1ALDH1A1SMN1; SMN2CA1CA2 | |
| SCHEMBL2439364 | 0.76 | IAPP (0.46) | ABCB1ALDH1A1SMN1; SMN2CA1CA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7482488-B2 | Aryl and heteroaryl propene amides, derivatives thereof and therapeutic uses thereof | TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2009-01-27 | — | — | US | disclosed |