Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.62 |
| ▸ | GLA | P06280 | 1/20 | 0.62 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 6/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL19003459 | 0.86 | CXCR1 (0.51) | ALDH1A1TRPV1LMNAHTTMAPT | |
| SCHEMBL18985268 | 0.85 | ALDH1A1 (0.65) | ALDH1A1GLATRPV1LMNAPKM | |
| SCHEMBL18985214 | 0.85 | ALDH1A1 (0.65) | ALDH1A1GLATRPV1LMNAPKM | |
| SCHEMBL18985212 | 0.85 | ALDH1A1 (0.65) | ALDH1A1GLATRPV1LMNAPKM | |
| SCHEMBL18985269 | 0.85 | ALDH1A1 (0.65) | ALDH1A1GLATRPV1LMNAPKM | |
| SCHEMBL19003460 | 0.85 | GAA (0.59) | ALDH1A1LMNAMAPTKMT2AMEN1 | |
| SCHEMBL19003256 | 0.84 | ALDH1A1 (0.64) | ALDH1A1GLATRPV1LMNAPKM | |
| SCHEMBL19003305 | 0.83 | MMP1 (0.63) | ALDH1A1TRPV1LMNAHTTMAPT | |
| SCHEMBL19003472 | 0.82 | LMNA (0.45) | ALDH1A1GLALMNAPKMHTT | |
| SCHEMBL19003463 | 0.81 | ALDH1A1 (0.75) | ALDH1A1GLATRPV1LMNAPKM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017102014-A1 | PROPENAMIDE THIOPHENE DERIVATIVES AS FLAVIVIRUS INHIBITORS AND THEIR USE | UNIVERSITE D'AIX-MARSEILLE (FR) | 2017-06-22 | — | — | WO | disclosed |