Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4683616 | 0.85 | HTT (0.43) | ALDH1A1LMNAHTTSMN1; SMN2KMT2A | |
| SCHEMBL21656570 | 0.83 | CTSL (0.43) | ALDH1A1KMT2AFFAR1S1PR3 | |
| SCHEMBL11819397 | 0.83 | SLC6A3 (0.44) | ALDH1A1LMNAHTTSMN1; SMN2SLC6A3 | |
| SCHEMBL8770867 | 0.82 | ALDH1A1 (0.42) | ALDH1A1LMNAHTTSMN1; SMN2SLC6A3 | |
| SCHEMBL21656174 | 0.81 | ALDH1A1 (0.43) | ALDH1A1LMNAHTTSMN1; SMN2KMT2A | |
| SCHEMBL5323828 | 0.80 | KMT2A (0.53) | ALDH1A1LMNAHTTSMN1; SMN2KMT2A | |
| SCHEMBL232001 | 0.80 | KMT2A (0.39) | ALDH1A1LMNAHTTSMN1; SMN2KMT2A | |
| SCHEMBL14996085 | 0.79 | CTSS (0.48) | ALDH1A1KMT2A | |
| SCHEMBL21656333 | 0.79 | KMT2A (0.39) | ALDH1A1LMNAHTTKMT2ACYP26A1 | |
| SCHEMBL7750497 | 0.79 | FFAR1 (0.45) | ALDH1A1LMNAHTTSMN1; SMN2SLC6A3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5686609-A | Aromatic amine compounds, Their method of preparation and pharmaceutical compositions in which they are present | SANOFI (FR) | 1997-11-11 | — | — | US | disclosed |
| US-5618938-A | Process for preparing stereo isomers of neurokinin receptor antagonists | SANOFI (FR) | 1997-04-08 | — | — | US | disclosed |
| US-5317020-A | Neurokinin receiver antagonist as antiinflammatory agents | SANOFI (FR) | 1994-05-31 | — | — | US | disclosed |