Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.58 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.58 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.58 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | PPARG | P37231 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | EPHB3 | P54753 | 2/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL21935717 | 0.81 | TDP1 (0.62) | HTTCHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL30887941 | 0.80 | ACLY (0.58) | HPGDCYP1A2CYP2C19MEN1KMT2A | |
| SCHEMBL2168262 | 0.80 | ACLY (0.58) | HPGDCYP1A2CYP2C19MEN1KMT2A | |
| SCHEMBL31680566 | 0.79 | CYP1A2 (0.89) | HPGDCYP1A2CYP2C19MEN1KMT2A | |
| SCHEMBL14252928 | 0.79 | MEN1 (0.79) | HPGDCYP1A2CYP2C19MEN1KMT2A | |
| SCHEMBL6631304 | 0.78 | CHRNB2 (0.89) | HPGDHTTCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL2700280 | 0.77 | CYP1A2 (0.77) | HPGDCYP1A2CYP2C19KMT2AMAPT | |
| SCHEMBL2272508 | 0.76 | ACLY (0.63) | HTTCHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL418103 | 0.75 | SERPINE1 (0.71) | HTTCHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL13455818 | 0.75 | RAB9A (0.63) | HPGDCYP1A2CYP2C19MEN1KMT2A |
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-1325006-A2 | HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR | NEUROGEN CORPORATION (US) | 2003-07-09 | — | — | EP | claimed |
| WO-2002012442-A2 | HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR | NEUROGEN CORPORATION (US) | 2002-02-14 | — | — | WO | claimed |