Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | AGER | Q15109 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | HNF4A | P41235 | 1/20 | 0.47 |
| ▸ | DHODH | Q02127 | 1/20 | 0.46 |
| ▸ | MYC | P01106 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 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 | |
|---|---|---|---|---|
| SCHEMBL14658899 | 0.87 | FFAR1 (0.43) | NAPRTKDM4ETDP1ALDH1A1ALOX15 | |
| SCHEMBL833521 | 0.87 | NPC1 (0.58) | NAPRTKDM4ETDP1ALDH1A1ALOX15 | |
| SCHEMBL28358322 | 0.79 | HTT (0.53) | ALDH1A1MAPTTSHRL3MBTL1LMNA | |
| SCHEMBL8833877 | 0.78 | KDM4E (0.59) | NAPRTKDM4ETDP1ALDH1A1ALOX15 | |
| Benzene SCHEMBL7527131 | 0.77 | KDM4E (0.57) | NAPRTKDM4ETDP1ALDH1A1ALOX15 | |
| SCHEMBL1663588 | 0.77 | KDM4E (0.57) | NAPRTKDM4ETDP1ALDH1A1ALOX15 | |
| SCHEMBL28950071 | 0.77 | APP (0.46) | KDM4EALDH1A1MAPTTSHRL3MBTL1 | |
| SCHEMBL8182627 | 0.77 | KDM4E (0.57) | NAPRTKDM4ETDP1ALDH1A1ALOX15 | |
| SCHEMBL10402120 | 0.75 | KDM4E (0.55) | NAPRTKDM4ETDP1ALDH1A1ALOX15 | |
| SCHEMBL23320310 | 0.73 | KDM4E (0.45) | NAPRTKDM4ETDP1ALDH1A1ALOX15 |
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-1296972-A1 | ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS | Aventis Pharmaceuticals Inc. (US) | 2003-04-02 | — | — | EP | disclosed |
| WO-2001090101-A1 | ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2001-11-29 | — | — | WO | disclosed |