Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CTSA | P10619 | 2/20 | 0.31 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19212482 | 1.00 | CHRM2 (0.40) | CHRM2CHRM1LMNAALDH1A1CYP2D6 | |
| SCHEMBL722893 | 0.85 | CHRM2 (0.43) | CHRM2CHRM1MAPTTSHR | |
| SCHEMBL2634518 | 0.85 | CHRM2 (0.43) | CHRM2CHRM1MAPTTSHR | |
| SCHEMBL7756337 | 0.85 | CHRM2 (0.43) | CHRM2CHRM1MAPTTSHR | |
| SCHEMBL19212506 | 0.85 | KDM4E (0.40) | LMNAALDH1A1KMT2AMEN1POLB | |
| SCHEMBL19212491 | 0.84 | ALDH1A1 (0.35) | LMNAALDH1A1POLBKDM4EGAA | |
| SCHEMBL11297464 | 0.81 | CHRM2 (0.48) | CHRM2CHRM1CTSA | |
| SCHEMBL1158251 | 0.80 | CHRM2 (0.62) | CHRM2CHRM1CYP2D6KMT2APOLB | |
| SCHEMBL4659057 | 0.80 | CHRM2 (0.62) | CHRM2CHRM1CYP2D6KMT2APOLB | |
| Hydrochloric Acid SCHEMBL16166361 | 0.80 | CHRM2 (0.61) | CHRM2CHRM1ALDH1A1KMT2APOLB |
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 2 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 |