Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9208224 | 0.83 | SMN1; SMN2 (0.39) | HTTKDM4EALDH1A1HPGD | |
| SCHEMBL9215987 | 0.79 | NPC1 (0.40) | HTTNPC1RAB9AAAK1KDM4E | |
| SCHEMBL9217834 | 0.79 | HTT (0.36) | HTTNPC1RAB9AALDH1A1CYP1A2 | |
| SCHEMBL9256929 | 0.77 | MAP3K5 (0.39) | HTTCYP1A2POLBCYP2C19 | |
| SCHEMBL9259873 | 0.76 | TRPV1 (0.38) | — | |
| SCHEMBL9255180 | 0.72 | MAPT (0.38) | NPC1RAB9AAAK1KDM4EALDH1A1 | |
| SCHEMBL9263794 | 0.72 | HTT (0.40) | HTTKDM4EALDH1A1CYP1A2POLB | |
| SCHEMBL9263856 | 0.69 | HTT (0.38) | HTTKDM4EALDH1A1CYP1A2POLB | |
| SCHEMBL10518789 | 0.69 | HTT (0.51) | HTTNPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL9273126 | 0.68 | HTT (0.40) | HTTKDM4EALDH1A1CYP1A2POLB |
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-5475000-A | Antiulcer agents | CHINOIN GYOGYSZER-ES VEGYESZETI TERMEKEK GYARA RT. (HU) | 1995-12-12 | — | — | US | disclosed |
| EP-0641340-A1 | NEW 3-(SUBSTITUTED TETRAZOLYL)-4-OXO-4H-PYRIDO- 1,2-a]PYRIMIDINES, SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME | CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) | 1995-03-08 | — | — | EP | disclosed |
| WO-1993004065-A1 | NEW 3-(SUBSTITUTED TETRAZOLYL)-4-OXO-4H-PYRIDO-[1,2-a]PYRIMIDINES, SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME | CHINOIN GYÓGYSZER- ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) | 1993-03-04 | — | — | WO | disclosed |