Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Phenethylamine SCHEMBL6242133 | 0.94 | ALDH1A1 (0.50) | ALDH1A1KMT2AKDM4ETAAR1NPC1 | |
| SCHEMBL7643262 | 0.82 | KMT2A (0.59) | ALDH1A1KMT2AKDM4ETAAR1NPC1 | |
| SCHEMBL6377969 | 0.82 | KMT2A (0.59) | ALDH1A1KMT2AKDM4ETAAR1NPC1 | |
| SCHEMBL6242132 | 0.79 | ALDH1A1 (0.51) | ALDH1A1KMT2AKDM4ENPC1RAB9A | |
| SCHEMBL6378072 | 0.77 | ALDH1A1 (0.51) | ALDH1A1KMT2AKDM4ETAAR1NPC1 | |
| SCHEMBL28496379 | 0.77 | ALDH1A1 (0.61) | ALDH1A1KMT2AKDM4ENPC1RAB9A | |
| SCHEMBL6780022 | 0.77 | TSHR (0.47) | ALDH1A1KDM4ECYP3A4MAPTTSHR | |
| SCHEMBL16501880 | 0.76 | MPO (0.50) | KMT2ATAAR1SMN1; SMN2MEN1CYP3A4 | |
| SCHEMBL6243069 | 0.76 | MPO (0.50) | ALDH1A1KMT2ATAAR1SMN1; SMN2MEN1 | |
| SCHEMBL28564776 | 0.76 | RAB9A (0.59) | ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005016895-A1 | NOVEL COMPOUND OF 6-METHYL-3-PHENETHYL-3,4-DIHYDRO-1H-QUINAZOLINE-2-THINONE, ITS PREPARATION AND A DEPIGMENTATION COMPOSITON CONTAINING THE SAME AS AN EFFECTIVE COMPONENT | KIM YOUNGSOO (KR) | 2005-02-24 | — | — | WO | claimed |
| WO-2005016895-A1 | NOVEL COMPOUND OF 6-METHYL-3-PHENETHYL-3,4-DIHYDRO-1H-QUINAZOLINE-2-THINONE, ITS PREPARATION AND A DEPIGMENTATION COMPOSITON CONTAINING THE SAME AS AN EFFECTIVE COMPONENT | KIM YOUNGSOO (KR) | 2005-02-24 | — | — | WO | disclosed |