Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | PPM1B | O75688 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18911606 | 1.00 | PDK1 (0.37) | PDK1OPRK1CHRM2CHRM4CHRM5 | |
| SCHEMBL22710227 | 0.83 | PPM1B (0.36) | OPRK1PPM1BPTPN1PPP1CCALDH1A1 | |
| SCHEMBL10820753 | 0.78 | ALDH1A1 (0.41) | PPM1BPTPN1TSHRPPP1CCALDH1A1 | |
| SCHEMBL4914347 | 0.78 | — | — | |
| SCHEMBL28601788 | 0.78 | — | — | |
| SCHEMBL28589967 | 0.78 | — | — | |
| SCHEMBL17161213 | 0.78 | PDK1 (0.35) | PDK1TP53 | |
| SCHEMBL25270360 | 0.75 | PDK1 (0.41) | PDK1PPM1BPTPN1PPP1CCALDH1A1 | |
| SCHEMBL5114014 | 0.75 | TSHR (0.42) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL20573379 | 0.75 | PDK1 (0.41) | PDK1PPM1BPTPN1PPP1CCALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021198965-A1 | NEODEGRADER CONJUGATES | ORUM THERAPEUTICS, INC. (KR) | 2021-10-07 | — | — | WO | disclosed |
| WO-2020234270-A1 | A PROCESS FOR THE MANUFACTURE OF (2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(((4AR,10AR)-7-HYDROXY-1-PROPYL-1,2,3,4,4A,5,10,10A-OCTAHYDROBENZO[G]QUINOLIN-6-YL)OXY)TETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID AND INTERMEDIATE THEREOF | H. LUNDBECK A/S (DK) | 2020-11-26 | — | — | WO | disclosed |
| WO-2020234274-A1 | NEW CATECHOLAMINE PRODRUGS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE | H. LUNDBECK A/S (DK) | 2020-11-26 | — | — | WO | disclosed |
| WO-2019023103-A1 | ISOTOPICALLY LABELED BILE ACID DERIVATIVES | INTERCEPT PHARMACEUTICALS, INC. (US) | 2019-01-31 | — | — | WO | disclosed |
| WO-2017089890-A1 | CONJUGATES COMPRISING SELF-IMMOLATIVE GROUPS AND METHODS RELATED THERETO | LEGOCHEM BIOSCIENCES, INC. (KR) | 2017-06-01 | — | — | WO | disclosed |