Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | RBBP9 | O75884 | 5/20 | 0.44 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CASP3 | P42574 | 3/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 3/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 3/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.37 |
| ▸ | HSPA9 | P38646 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL247631 | 0.77 | — | — | |
| SCHEMBL11254334 | 0.75 | ALDH1A1 (0.59) | ALDH1A1RBBP9PLA2G4ACYP1A2CYP2D6 | |
| Bromide SCHEMBL27358834 | 0.75 | — | — | |
| SCHEMBL8213363 | 0.74 | — | — | |
| SCHEMBL121301 | 0.74 | — | — | |
| SCHEMBL5609136 | 0.74 | ALDH1A1 (0.69) | ALDH1A1RBBP9PLA2G4ACYP1A2CYP2D6 | |
| SCHEMBL15122549 | 0.73 | ALDH1A1 (0.57) | ALDH1A1RBBP9PLA2G4ACYP1A2CYP2D6 | |
| SCHEMBL10505199 | 0.73 | ALDH1A1 (0.47) | ALDH1A1RBBP9PLA2G4ACASP3SENP8 | |
| Hydrochloric Acid SCHEMBL1128589 | 0.73 | — | — | |
| SCHEMBL5484928 | 0.73 | — | — |
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-4652652-A | PENICILLIN OR CEPHALOSPORIN INTERMEDIATE | SHIONOGI & CO., LTD. (JP) | 1987-03-24 | — | — | US | disclosed |