Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL11763535 | 0.77 | DHFR (0.57) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL11821666 | 0.77 | DHFR (0.57) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL7097439 | 0.75 | ALDH1A1 (0.73) | DHFRALDH1A1HTR2AHTR2C | |
| SCHEMBL12496384 | 0.74 | HSP90AA1 (0.54) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL7094111 | 0.73 | PNP (0.47) | DHFRALDH1A1TSHRHTR2AHTR2C | |
| SCHEMBL8910416 | 0.72 | PTGS2 (0.70) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL7096925 | 0.71 | PNP (0.48) | DHFRALDH1A1TSHRHTR2AHTR2C | |
| SCHEMBL18552095 | 0.71 | DHFR (0.65) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL15272016 | 0.70 | DHFR (0.51) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| Trimethoprim SCHEMBL2637561 | 0.69 | DHFR (1.00) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 |
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-1194415-B1 | NOVEL PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THEIR PREPARATION | EGYT GYOGYSZERVEGYESZETI GYAR (HU) | 2003-08-20 | — | — | EP | disclosed |
| US-6469168-B1 | FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, ESPECIALLY ANXIETY | EGIS Gyógyszergyár Rt. (HU) | 2002-10-22 | — | — | US | disclosed |