Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9858043 | 0.92 | ALDH1A1 (0.37) | ALDH1A1GRM2L3MBTL1MEN1KMT2A | |
| SCHEMBL9857893 | 0.88 | CA5A (0.40) | ALDH1A1KMT2AMAPK1CYP1A2CYP2C19 | |
| SCHEMBL9857981 | 0.87 | HTT (0.39) | ALDH1A1MEN1KMT2AMAPTTSHR | |
| SCHEMBL9858303 | 0.87 | PTGER1 (0.41) | ALDH1A1MEN1KMT2AHPGDMAPT | |
| SCHEMBL11117769 | 0.85 | ALDH1A1 (0.48) | ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2 | |
| SCHEMBL9858075 | 0.82 | CYP2C19 (0.48) | ALDH1A1MEN1KMT2AMAPK1CYP2C19 | |
| SCHEMBL10662829 | 0.73 | TP53 (0.59) | ALDH1A1L3MBTL1CYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL10668856 | 0.72 | TP53 (0.52) | ALDH1A1L3MBTL1CYP1A2CYP2C19SMN1; SMN2 | |
| Methoxymethane SCHEMBL10666178 | 0.71 | NPC1 (0.49) | ALDH1A1GRM2MEN1KMT2ACYP1A2 | |
| SCHEMBL9714254 | 0.70 | KDM5A (0.49) | ALDH1A1L3MBTL1CYP1A2CYP2C19SMN1; SMN2 |
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-0199262-B1 | FLUORINATED BENZYL TRIAZOLE COMPOUNDS | CIBA-GEIGY AG (CH) | 1991-02-27 | — | — | EP | disclosed |
| EP-0199262-A2 | Fluorinated benzyl triazole compounds | CIBA-GEIGY AG (CH) | 1986-10-29 | — | — | EP | disclosed |