Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | LIG1 | P18858 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL2789512 | 0.84 | KMT2A (0.54) | GAAKMT2AHTTNPSR1HPGD | |
| SCHEMBL4832151 | 0.84 | GAA (0.48) | GAAKMT2AHTTNPSR1HPGD | |
| SCHEMBL19212500 | 0.83 | MAPT (0.37) | GAAKMT2AHTTNPSR1HPGD | |
| SCHEMBL13196103 | 0.83 | L3MBTL1 (0.47) | GAAKMT2AHTTNPSR1HPGD | |
| SCHEMBL19212509 | 0.81 | LMNA (0.41) | GAAKMT2AHPGDALDH1A1L3MBTL1 | |
| SCHEMBL1582638 | 0.78 | HPGD (0.62) | GAAKMT2AHTTNPSR1HPGD | |
| SCHEMBL19251106 | 0.78 | MAPT (0.38) | GAAHPGDALDH1A1L3MBTL1MAPT | |
| SCHEMBL19212485 | 0.77 | CHRM2 (0.38) | GAAKMT2AHTTHPGDALDH1A1 | |
| SCHEMBL19212478 | 0.76 | CHRM2 (0.37) | GAAHPGDALDH1A1L3MBTL1MAPT | |
| SCHEMBL9228309 | 0.75 | L3MBTL1 (0.47) | GAAKMT2AHTTNPSR1ALDH1A1 |
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 3 patents. 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 | claimed |
| 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 |
| 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 |