Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 6/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11353116 | 0.98 | HTT (0.53) | HTTALDH1A1KDM4EHPGDCYP1A2 | |
| SCHEMBL11356063 | 0.80 | HTT (0.70) | HTTALDH1A1KDM4EHPGDCYP1A2 | |
| Hydrochloric Acid SCHEMBL11357642 | 0.78 | HTT (0.68) | HTTALDH1A1KDM4EHPGDCYP1A2 | |
| Hydrochloric Acid SCHEMBL10944564 | 0.76 | HTT (0.60) | HTTALDH1A1KDM4EHPGDCYP1A2 | |
| SCHEMBL14627843 | 0.74 | MAPT (0.52) | ALDH1A1KDM4EHPGDRXFP1MAPK1 | |
| SCHEMBL890677 | 0.74 | HTT (0.50) | HTTALDH1A1KDM4EHPGDCYP1A2 | |
| SCHEMBL890602 | 0.74 | HTT (0.57) | HTTALDH1A1KDM4EHPGDCYP1A2 | |
| SCHEMBL13377117 | 0.73 | ALDH1A1 (0.57) | HTTALDH1A1KDM4EHPGDCYP1A2 | |
| SCHEMBL11363269 | 0.72 | HTT (0.59) | HTTALDH1A1KDM4EHPGDCYP1A2 | |
| SCHEMBL18542867 | 0.72 | HTT (0.51) | HTTALDH1A1KDM4EHPGDCYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4219649-A | ANALGESICS | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) | 1980-08-26 | — | — | US | claimed |
| US-4291036-A | Pyrido[1,2-A]pyrimidine derivatives and method of analgesic treatment | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) | 1981-09-22 | — | — | US | disclosed |
| US-4219649-A | ANALGESICS | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) | 1980-08-26 | — | — | US | disclosed |