Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | LIG1 | P18858 | 1/20 | 0.42 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19251015 | 0.81 | MAOA (0.46) | TSHRGAANPC1RAB9AALDH1A1 | |
| SCHEMBL15312851 | 0.79 | KDM4E (0.60) | TSHRGAAKDM4ENPC1RAB9A | |
| SCHEMBL19251013 | 0.79 | ALDH1A1 (0.47) | TSHRGAAKDM4ENPC1ALDH1A1 | |
| SCHEMBL28217561 | 0.79 | CA12 (0.57) | THRATSHRRAB9AALDH1A1HTT | |
| SCHEMBL6579738 | 0.77 | GAA (0.54) | TSHRGAAKDM4ENPC1RAB9A | |
| SCHEMBL28470290 | 0.76 | THRA (0.62) | THRATSHRNPC1RAB9APTGER1 | |
| SCHEMBL27279846 | 0.76 | TSHR (0.52) | TSHRGAAKDM4ENPC1RAB9A | |
| SCHEMBL8460563 | 0.76 | TSHR (0.60) | TSHRGAAKDM4ENPC1RAB9A | |
| SCHEMBL9557088 | 0.75 | EGFR (0.53) | TSHRGAAKDM4ENPC1RAB9A | |
| SCHEMBL31737057 | 0.74 | KDM4E (0.74) | TSHRGAAKDM4ENPC1RAB9A |
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 |