Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3364501 | 0.76 | NPC1 (0.47) | ALDH1A1PKMHPGDKDM4ESMN1; SMN2 | |
| SCHEMBL1416429 | 0.73 | ALDH1A1 (0.53) | ALDH1A1PKMHPGDKDM4ESMN1; SMN2 | |
| SCHEMBL10807183 | 0.72 | ALDH1A1 (0.48) | ALDH1A1PKMHPGDKDM4ESMN1; SMN2 | |
| SCHEMBL6019991 | 0.72 | ALDH1A1 (0.57) | ALDH1A1PKMHPGDKDM4ESMN1; SMN2 | |
| SCHEMBL11077845 | 0.71 | ALDH1A1 (0.54) | ALDH1A1PKMHPGDKDM4ESMN1; SMN2 | |
| SCHEMBL11502178 | 0.70 | ALDH1A1 (0.46) | ALDH1A1PKMHPGDKDM4ESMN1; SMN2 | |
| SCHEMBL6017131 | 0.69 | ALDH1A1 (0.48) | ALDH1A1PKMHPGDKDM4ESMN1; SMN2 | |
| SCHEMBL16502713 | 0.69 | MRGPRX4 (0.50) | ALDH1A1HPGDKDM4ESMN1; SMN2POLB | |
| SCHEMBL17144668 | 0.69 | ALDH1A1 (0.47) | ALDH1A1PKMHPGDKDM4ESMN1; SMN2 | |
| SCHEMBL16502712 | 0.69 | KDM4E (0.48) | ALDH1A1HPGDKDM4ESMN1; SMN2POLB |
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-2005016892-A1 | GABANERGIC MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-02-24 | — | — | WO | disclosed |