Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | THPO | P40225 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2166450 | 0.79 | SIGMAR1 (0.67) | SIGMAR1GRIN2B | |
| Hydrochloric Acid SCHEMBL1299068 | 0.78 | SIGMAR1 (0.65) | SIGMAR1GRIN2B | |
| SCHEMBL11797137 | 0.78 | SIGMAR1 (0.52) | SIGMAR1HTR1ADRD2DRD4HTR2A | |
| SCHEMBL6620768 | 0.77 | NOS1 (0.65) | SIGMAR1MAPTGRIN2BHTR1ADRD2 | |
| SCHEMBL1509554 | 0.76 | LMNA (0.70) | SIGMAR1MAPTALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL11797087 | 0.76 | MAPT (0.44) | MAPTCYP2D6TSHRCYP2C19LMNA | |
| SCHEMBL14320557 | 0.75 | L3MBTL3 (0.67) | SIGMAR1MAPTMBTD1TP53BP1L3MBTL3 | |
| SCHEMBL3703984 | 0.73 | MAPT (0.82) | SIGMAR1MAPTALDH1A1HTR1ADRD2 | |
| SCHEMBL10725629 | 0.73 | HTR1A (0.78) | SIGMAR1MAPTALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL1877934 | 0.72 | HRH3 (0.68) | SIGMAR1ALDH1A1CYP1A2CYP3A4TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4000274-A | PHARMACEUTICAL COMPOSITIONS CONTAINING AN N-ARYL-N'-(PHENYL-OR-PHENOXY-ALKYL)-PIPERAZINE AND METHOD OF USE | BOEHRINGER INGELHEIM GMBH (DT) | 1976-12-28 | — | — | US | disclosed |
| US-3941789-A | CNS DEPRESSANT, ADRENOLYTIC, ANTIPHLOGISTIC, ANALGESIC, ANTIHISTAMINE, ANTICHOLESTEROL | BOEHRINGER INGELHEIM GMBH (DT) | 1976-03-02 | — | — | US | disclosed |