Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | GAA | P10253 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8877436 | 0.83 | ALDH1A1 (0.51) | ALDH1A1GAASMN1; SMN2MAPTCYP1A2 | |
| SCHEMBL8769129 | 0.78 | ALDH1A1 (0.39) | ALDH1A1GAASMN1; SMN2MAPTHTT | |
| SCHEMBL30616243 | 0.77 | ALDH1A1 (0.50) | ALDH1A1GAASMN1; SMN2MAPTHTT | |
| Phenyl Methylcarbamate SCHEMBL78497 | 0.77 | CYP1A2 (0.57) | ALDH1A1GAASMN1; SMN2MAPTHTT | |
| SCHEMBL14938455 | 0.75 | MAPT (0.64) | ALDH1A1GAASMN1; SMN2MAPTCYP1A2 | |
| SCHEMBL14938436 | 0.75 | ALDH1A1 (0.51) | ALDH1A1GAASMN1; SMN2MAPTHTT | |
| Phenyl Methylcarbamate SCHEMBL27868174 | 0.75 | CYP1A2 (0.55) | ALDH1A1GAASMN1; SMN2MAPTHTT | |
| Phenyl Methylcarbamate SCHEMBL27634739 | 0.75 | CYP1A2 (0.55) | ALDH1A1GAASMN1; SMN2MAPTHTT | |
| Phenyl Methylcarbamate SCHEMBL27930957 | 0.75 | CYP1A2 (0.55) | ALDH1A1GAASMN1; SMN2MAPTHTT | |
| SCHEMBL14938458 | 0.75 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2MAPTCYP1A2MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5606070-A | Process for the preparation of alkoxytriazolinones | BAYER AKTIENGESELLSCHAFT (DE) | 1997-02-25 | — | — | US | disclosed |