Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA5A | P35218 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.38 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | MPO | P05164 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 3/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.33 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.33 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29843259 | 0.88 | TRPV4 (0.58) | TRPV4CA1CA2CA5ACA9 | |
| SCHEMBL695564 | 0.88 | TRPV4 (0.58) | TRPV4CA1CA2CA5ACA9 | |
| SCHEMBL3611597 | 0.76 | TRPV4 (0.60) | TRPV4CA1CA2CA5ACA9 | |
| SCHEMBL29374110 | 0.76 | TRPV4 (0.60) | TRPV4CA1CA2CA5ACA9 | |
| SCHEMBL788600 | 0.76 | CA1 (0.61) | CA1CA2CA5ACA9TSHR | |
| SCHEMBL2907905 | 0.76 | HSD11B1 (0.44) | CA1CA2CA5ACA9ALDH1A1 | |
| Trifluoromethylbenzene SCHEMBL65956 | 0.76 | ALDH1A1 (0.70) | CA1CA2CA5ACA9ALDH1A1 | |
| Trifluoromethylbenzene SCHEMBL28303314 | 0.76 | ALDH1A1 (0.70) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL29451830 | 0.75 | TRPV4 (0.46) | TRPV4CA1CA2CA5ACA9 | |
| Trifluoromethylbenzene SCHEMBL28221710 | 0.74 | ALDH1A1 (0.67) | CA1CA2CA5ACA9ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105294830-A | Dipeptide molecule, preparation method therefor and application thereof | CHEN GUANGJIAN | 2016-02-03 | — | — | CN | disclosed |