Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | ACHE | P22303 | 4/20 | 0.39 |
| ▸ | HTR4 | Q13639 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | DVL1 | O14640 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9053967 | 1.00 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2ACHEHTR4CYP3A4 | |
| SCHEMBL9058245 | 0.85 | DVL1 (0.36) | ALDH1A1SMN1; SMN2CYP3A4MEN1KMT2A | |
| SCHEMBL9057242 | 0.85 | ACHE (0.45) | ACHE | |
| SCHEMBL9058244 | 0.85 | DVL1 (0.36) | ALDH1A1SMN1; SMN2CYP3A4MEN1KMT2A | |
| SCHEMBL9057246 | 0.85 | ACHE (0.45) | ACHE | |
| SCHEMBL9056435 | 0.82 | HPGDS (0.41) | ALDH1A1SMN1; SMN2ACHEMEN1KMT2A | |
| SCHEMBL9056444 | 0.82 | HPGDS (0.41) | ALDH1A1SMN1; SMN2ACHEMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9057145 | 0.81 | HPGDS (0.40) | ALDH1A1SMN1; SMN2ACHEMEN1KMT2A | |
| SCHEMBL13576208 | 0.81 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2MEN1KMT2ADRD3 | |
| SCHEMBL9053881 | 0.81 | CTSL (0.38) | ALDH1A1SMN1; SMN2CYP3A4MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996004271-A1 | CONDENSED AZEPINE DERIVATIVES, DRUGS CONTAINING THESE COMPOUNDS AND METHODS FOR PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1996-02-15 | — | — | WO | disclosed |