Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30349817 | 0.86 | NPC1 (0.49) | NPC1KMT2AMAPTMEN1MAPK1 | |
| SCHEMBL27705845 | 0.84 | NPC1 (0.48) | NPC1KMT2AMAPTMEN1MAPK1 | |
| SCHEMBL8607054 | 0.84 | ALDH1A1 (0.46) | NPC1KMT2AMAPTMEN1ALDH1A1 | |
| SCHEMBL1321714 | 0.84 | NPSR1 (0.47) | NPC1KMT2AMAPTMEN1ALDH1A1 | |
| SCHEMBL11066482 | 0.80 | NPC1 (0.44) | NPC1KMT2AMAPTMEN1MAPK1 | |
| SCHEMBL20204094 | 0.80 | ALDH1A1 (0.47) | NPC1KMT2AMAPTMEN1MAPK1 | |
| SCHEMBL416523 | 0.78 | ALDH1A1 (0.46) | MAPTALDH1A1LMNACNR1CNR2 | |
| SCHEMBL9601863 | 0.77 | ALDH1A1 (0.53) | KMT2AALDH1A1 | |
| SCHEMBL24333940 | 0.76 | LMNA (0.43) | KMT2AMAPTMEN1ALDH1A1KDM4E | |
| SCHEMBL8608752 | 0.76 | ALDH1A1 (0.40) | ALDH1A1TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1230210-A1 | AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-08-14 | — | — | EP | disclosed |
| WO-2001036375-A1 | AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-05-25 | — | — | WO | disclosed |