Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL2709039 | 0.82 | MPO (0.59) | ALDH1A1RAB9ANPC1SMN1; SMN2HRH4 | |
| SCHEMBL24473794 | 0.82 | RAB9A (0.50) | ALDH1A1RAB9ANPC1SMN1; SMN2LMNA | |
| SCHEMBL14136368 | 0.81 | RAB9A (0.49) | ALDH1A1RAB9ANPC1SMN1; SMN2LMNA | |
| SCHEMBL20304443 | 0.80 | RAB9A (0.48) | ALDH1A1RAB9ANPC1SMN1; SMN2LMNA | |
| SCHEMBL29780578 | 0.80 | RAB9A (0.48) | ALDH1A1RAB9ANPC1SMN1; SMN2LMNA | |
| SCHEMBL6125251 | 0.78 | LMNA (0.53) | ALDH1A1RAB9ANPC1SMN1; SMN2LMNA | |
| SCHEMBL10267105 | 0.77 | USP30 (0.47) | ALDH1A1RAB9ANPC1SMN1; SMN2LMNA | |
| SCHEMBL14555090 | 0.77 | MPO (0.47) | ALDH1A1RAB9ANPC1SMN1; SMN2LMNA | |
| SCHEMBL13810503 | 0.76 | LMNA (0.61) | ALDH1A1LMNATHRBTP53USP2 | |
| SCHEMBL10901812 | 0.76 | MAOA (0.43) | ALDH1A1HRH4KCNH2CYP2D6HTR2C |
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 |
|---|---|---|---|---|---|---|---|
| EP-1950199-A1 | Proline derivatives and use thereof as drugs | Mitsubishi Tanabe Pharma Corporation (JP) | 2008-07-30 | — | — | EP | disclosed |