Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HEXA | P06865 | 3/20 | 0.42 |
| ▸ | HEXB | P07686 | 3/20 | 0.42 |
| ▸ | DHFR | P00374 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7271143 | 0.89 | HEXA (0.42) | HEXAHEXBDHFRMEN1SLC22A1 | |
| SCHEMBL6049569 | 0.85 | DHFR (0.46) | HEXAHEXBDHFRMEN1SLC22A1 | |
| Metoprine SCHEMBL29463675 | 0.83 | NPC1 (0.54) | DHFRTP53CYP1A2CYP3A4CYP2D6 | |
| Metoprine SCHEMBL3681 | 0.83 | NPC1 (0.54) | DHFRTP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10999078 | 0.81 | ALDH1A1 (0.48) | HEXAHEXBDHFRMEN1SLC22A1 | |
| Metoprine SCHEMBL4529657 | 0.81 | NPC1 (0.53) | DHFRTP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12368254 | 0.79 | HEXA (0.64) | HEXAHEXBDHFRALDH1A1RAB9A | |
| SCHEMBL4535505 | 0.77 | HRH4 (0.47) | DHFRALDH1A1 | |
| SCHEMBL7280206 | 0.77 | KMT2A (0.34) | HEXAHEXBDHFRMEN1ALDH1A1 | |
| SCHEMBL7280211 | 0.77 | KMT2A (0.34) | HEXAHEXBDHFRMEN1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0679645-A1 | Pharmacologically active CNS pyridmidin compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-11-02 | — | — | EP | claimed |
| EP-0459819-A2 | Pharmacologically active CNS compound | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-04 | — | — | EP | claimed |
| EP-0679645-A1 | Pharmacologically active CNS pyridmidin compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-11-02 | — | — | EP | disclosed |
| EP-0459819-A2 | Pharmacologically active CNS compound | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-04 | — | — | EP | disclosed |