Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL978216 | 0.84 | MAOA (0.60) | MAOAMAOBALDH1A1NPC1MAPT | |
| SCHEMBL8534293 | 0.82 | KDM4E (0.48) | ALDH1A1GAATSHRMAPTHTT | |
| SCHEMBL19251013 | 0.81 | ALDH1A1 (0.47) | ALDH1A1GAATSHRNPC1MAPT | |
| SCHEMBL19251545 | 0.81 | THRA (0.47) | ALDH1A1GAATSHRNPC1HTT | |
| SCHEMBL6771880 | 0.79 | ALDH1A1 (0.43) | ALDH1A1GAATSHRNPC1MAPT | |
| SCHEMBL5883140 | 0.79 | MAOA (0.55) | MAOAMAOBALDH1A1GAANPC1 | |
| SCHEMBL3464451 | 0.78 | FDPS (0.54) | ALDH1A1GAATSHRNPSR1MAPT | |
| SCHEMBL26361508 | 0.77 | BCHE (0.43) | ALDH1A1CA12CA1CA9NPC1 | |
| SCHEMBL1933466 | 0.74 | MAOA (0.50) | MAOAMAOBALDH1A1 | |
| SCHEMBL4617044 | 0.74 | TSHR (0.44) | ALDH1A1GAATSHRNPC1MAPT |
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-2017137955-A1 | NOVEL (R) AND RAC 3-(2-(ALLYLOXY)-5-METHYLPHENYL)-N,N-DIISOPROPYL-3- PHENYLPROPAN-1-AMINE AND ITS USE FOR SYNTHESIS OF (R) AND RAC-2-(3- (DIISOPROPYLAMINO)-1-PHENYLPROPYL)-4-(HYDROXYMETHYL)PHENOL | CELESTIS PHARMACEUTICALS PVT. LTD. (IN) | 2017-08-17 | — | — | WO | disclosed |