Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.53 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.51 |
| ▸ | CHKA | P35790 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.46 |
| ▸ | NCF1 | P14598 | 1/20 | 0.46 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | KIT | P10721 | 1/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8014611 | 0.82 | ALDH1A1 (0.61) | AKR1C3CYP2C9ALDH1A1GAATSHR | |
| SCHEMBL1283460 | 0.82 | SMN1; SMN2 (0.55) | SMN1; SMN2AKR1C3TRPV1CHKACYP2C9 | |
| SCHEMBL16599286 | 0.82 | AKR1C3 (0.58) | SMN1; SMN2AKR1C3TRPV1CHKACYP2C9 | |
| SCHEMBL3404750 | 0.80 | SMN1; SMN2 (0.57) | SMN1; SMN2AKR1C3TRPV1CHKACYP2C9 | |
| SCHEMBL27667265 | 0.80 | ME2 (0.53) | SMN1; SMN2AKR1C3TRPV1CYP2C9ALDH1A1 | |
| SCHEMBL21583811 | 0.79 | AKR1C3 (0.61) | SMN1; SMN2AKR1C3ALDH1A1LMNAMEN1 | |
| SCHEMBL22174993 | 0.79 | AKR1C3 (0.59) | SMN1; SMN2AKR1C3CYP2C9ALDH1A1GAA | |
| SCHEMBL29773303 | 0.79 | GFER (0.65) | SMN1; SMN2AKR1C3CYP2C9ALDH1A1GAA | |
| SCHEMBL21583753 | 0.79 | CA12 (0.66) | AKR1C3ALDH1A1GAACYP3A4LMNA | |
| SCHEMBL6603738 | 0.79 | CYP2C9 (0.73) | SMN1; SMN2AKR1C3TRPV1CHKACYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1421071-A2 | SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS | NOVO NORDISK A/S (DK) | 2004-05-26 | — | — | EP | disclosed |
| WO-2003004480-A2 | SUBSTITUTED PIPERAZINE AND DIAZEPANES AS HISTAMINE H3 RECEPTOR AGONISTS | NOVO NORDISK A/S (DK) | 2003-01-16 | — | — | WO | disclosed |