Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TYMS | P04818 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30277929 | 0.80 | CYP1A2 (0.62) | CYP1A2CYP2A6ALDH1A1HTTLMNA | |
| SCHEMBL3959620 | 0.80 | CYP1A2 (0.62) | CYP1A2CYP2A6ALDH1A1HTTLMNA | |
| SCHEMBL10042783 | 0.79 | ALDH1A1 (0.53) | CYP1A2ALDH1A1HTTLMNAPKM | |
| SCHEMBL6349773 | 0.78 | CYP1A2 (0.59) | CYP1A2CYP2A6ALDH1A1HTTLMNA | |
| SCHEMBL8647823 | 0.78 | LMNA (0.59) | CYP1A2CYP2A6ALDH1A1HTTLMNA | |
| SCHEMBL5492869 | 0.78 | CYP1A2 (0.59) | CYP1A2CYP2A6ALDH1A1LMNANR4A2 | |
| SCHEMBL30569673 | 0.78 | CYP1A2 (0.59) | CYP1A2CYP2A6ALDH1A1LMNANR4A2 | |
| SCHEMBL30153473 | 0.78 | CYP1A2 (0.59) | CYP1A2CYP2A6ALDH1A1HTTLMNA | |
| SCHEMBL30540374 | 0.77 | HTT (0.63) | CYP1A2CYP2A6ALDH1A1HTTLMNA | |
| SCHEMBL10316857 | 0.77 | HTT (0.63) | CYP1A2CYP2A6ALDH1A1HTTLMNA |
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-1919907-A2 | HETEROCYCLIC COMPOUND | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007026959-A2 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-03-08 | — | — | WO | disclosed |