Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1864554 | 0.85 | CYP1A2 (0.49) | CYP1A2LMNACYP3A4MAOAALDH1A1 | |
| SCHEMBL27743361 | 0.84 | ADRB2 (0.41) | CYP1A2LMNACYP3A4MAOAALDH1A1 | |
| SCHEMBL416523 | 0.83 | ALDH1A1 (0.46) | CYP1A2LMNACYP3A4ALDH1A1CNR2 | |
| SCHEMBL9601863 | 0.82 | ALDH1A1 (0.53) | CYP1A2CYP3A4ALDH1A1SMN1; SMN2CYP2D6 | |
| SCHEMBL24333940 | 0.81 | LMNA (0.43) | CYP1A2LMNACYP3A4ALDH1A1KDM4E | |
| SCHEMBL8608752 | 0.81 | ALDH1A1 (0.40) | CYP1A2ALDH1A1SMN1; SMN2TDP1CYP2D6 | |
| SCHEMBL7607677 | 0.76 | NPC1 (0.50) | LMNAALDH1A1KDM4ECNR2CNR1 | |
| SCHEMBL7609839 | 0.75 | SMN1; SMN2 (0.54) | LMNAALDH1A1KDM4ESMN1; SMN2NPC1 | |
| SCHEMBL9750439 | 0.73 | ESR1 (0.38) | ALDH1A1TDP1TSHRPDE4DNPSR1 | |
| SCHEMBL5981330 | 0.72 | ALDH1A1 (0.41) | LMNAALDH1A1TDP1TSHR |
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 |