Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER1 | P34995 | 2/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.40 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.40 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PLA2G2D | Q9UNK4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL725913 | 0.85 | PTGER1 (0.58) | PTGER1PTGER4PTGER3PTGER2LTB4R | |
| SCHEMBL19212476 | 0.84 | NPSR1 (0.36) | PTGER1PTGER4PTGER3PTGER2KDM4E | |
| Hydrochloric Acid SCHEMBL725095 | 0.84 | PTGER1 (0.57) | PTGER1PTGER4PTGER3PTGER2LTB4R | |
| SCHEMBL19212494 | 0.79 | SMN1; SMN2 (0.38) | PTGER1PTGER4PTGER3PTGER2KDM4E | |
| SCHEMBL8422001 | 0.76 | PLA2G2D (0.46) | KDM4ESMN1; SMN2ALDH1A1HPGDNPC1 | |
| SCHEMBL19251545 | 0.74 | THRA (0.47) | PTGER1KDM4ESMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL724228 | 0.72 | PTGER1 (0.55) | PTGER1PTGER4PTGER3PTGER2LTB4R | |
| SCHEMBL6238281 | 0.72 | PTGER1 (0.49) | PTGER1PTGER4PTGER3PTGER2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL723195 | 0.71 | PTGER1 (0.54) | PTGER1PTGER4PTGER3PTGER2LTB4R | |
| SCHEMBL7758334 | 0.71 | PTGER1 (0.51) | PTGER1PTGER4PTGER3PTGER2 |
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 |