Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Nan-190. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 7/20 | 0.98 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.98 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.98 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.98 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 1.00 |
| ▸ | GLA | P06280 | 1/20 | 1.00 |
| ▸ | HPGD | P15428 | 1/20 | 1.00 |
| ▸ | HTR7 | P34969 | 3/20 | 0.98 |
| ▸ | MEN1 | O00255 | 2/20 | 0.98 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.98 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.98 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.98 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.98 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.98 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.98 |
| ▸ | DRD2 | P14416 | 6/20 | 0.93 |
| ▸ | DRD3 | P35462 | 5/20 | 0.93 |
| ▸ | HTR2A | P28223 | 1/20 | 0.80 |
| ▸ | HTR6 | P50406 | 1/20 | 0.80 |
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 | |
|---|---|---|---|---|
| Nan-190 SCHEMBL29390376 | 1.00 | ALDH1A1 (1.00) | ALDH1A1KDM4EGLAHPGDHTR1A | |
| Nan-190 SCHEMBL2231820 | 0.99 | HTR1A (1.00) | ALDH1A1KDM4EGLAHPGDHTR1A | |
| Nan-190 SCHEMBL30080779 | 0.99 | HTR1A (1.00) | ALDH1A1KDM4EGLAHPGDHTR1A | |
| Nan-190 SCHEMBL29389115 | 0.99 | HTR1A (1.00) | ALDH1A1KDM4EGLAHPGDHTR1A | |
| SCHEMBL14761599 | 0.98 | HTR1A (0.98) | ALDH1A1KDM4EGLAHPGDHTR1A | |
| SCHEMBL10835973 | 0.96 | DRD2 (1.00) | ALDH1A1KDM4EGLAHPGDHTR1A | |
| SCHEMBL7668612 | 0.91 | DRD2 (0.86) | ALDH1A1KDM4EGLAHPGDHTR1A | |
| SCHEMBL4902771 | 0.86 | HTR1A (0.77) | ALDH1A1KDM4EGLAHPGDHTR1A | |
| SCHEMBL10835477 | 0.85 | DRD2 (0.79) | ALDH1A1KDM4EGLAHPGDHTR1A | |
| SCHEMBL7056493 | 0.85 | HTR1A (0.76) | ALDH1A1KDM4EGLAHPGDHTR1A |
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-2009090556-A2 | ARTIFICIAL REPRODUCTION OF PHARMACEUTICAL CONDITIONS OF DEPENDENCY TO TOBACCO AND OTHER ADDICTIVE DRUGS (OPIACEA, PSYCHOSTIMULANTS, ALCOHOL) BY COMBINATION OF NICOTINE AND A LIGAND (AGONIST OR 5 ANTAGONIST) OF 5-HT1A RECEPTORS | TASSIN, THOMAS (FR) | 2009-07-23 | — | — | WO | claimed |
| WO-2009090556-A2 | ARTIFICIAL REPRODUCTION OF PHARMACEUTICAL CONDITIONS OF DEPENDENCY TO TOBACCO AND OTHER ADDICTIVE DRUGS (OPIACEA, PSYCHOSTIMULANTS, ALCOHOL) BY COMBINATION OF NICOTINE AND A LIGAND (AGONIST OR 5 ANTAGONIST) OF 5-HT1A RECEPTORS | TASSIN, THOMAS (FR) | 2009-07-23 | — | — | WO | disclosed |