Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 5/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9787063 | 1.00 | CYP3A4 (0.40) | CYP3A4CYP19A1HTR1ADRD2DRD1 | |
| SCHEMBL9787362 | 1.00 | CYP3A4 (0.40) | CYP3A4CYP19A1HTR1ADRD2DRD1 | |
| SCHEMBL2240288 | 0.74 | HTR1A (0.44) | CYP3A4CYP19A1HTR1ADRD2DRD1 | |
| SCHEMBL1922464 | 0.74 | HTR1A (0.44) | CYP3A4CYP19A1HTR1ADRD2DRD1 | |
| SCHEMBL29960150 | 0.73 | MAP3K14 (0.63) | HTR1AMAP3K14SMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL20480264 | 0.73 | CYP19A1 (0.45) | CYP3A4CYP19A1HTR1ACYP1A2CYP2D6 | |
| SCHEMBL21262962 | 0.73 | CYP19A1 (0.45) | CYP3A4CYP19A1HTR1AHPGDKDM4E | |
| SCHEMBL20480221 | 0.72 | CYP19A1 (0.44) | CYP3A4CYP19A1HTR1ACYP1A2CYP2D6 | |
| SCHEMBL9441617 | 0.69 | HTR1A (0.54) | HTR1ADRD2DRD1HTR1BHTR2A | |
| SCHEMBL4119536 | 0.68 | LTB4R (0.54) | CYP3A4CYP19A1DRD2DRD1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0280269-B1 | 3-Amino-dihydro-[1]-benzopyrans and benzothiopyrans | CIBA-GEIGY AG (CH) | 1992-02-12 | — | — | EP | disclosed |
| EP-0222996-B1 | 3-AMINO-DIHYDRO(1)BENZOPYRANE AND BENZOTHIOPYRANE | CIBA-GEIGY AG (CH) | 1991-05-22 | — | — | EP | disclosed |
| US-4992465-A | Antidepressant, anxiolytic agents; treating central nervous system disorders | CIBA-GEIGY CORPORATION (US) | 1991-02-12 | — | — | US | disclosed |
| US-4801605-A | ANTIDEPRESSANT, NERVOUS SYSTEM DISORDERS, SEROTONIC ANTAGONIST | CIBA-GEIGY CORPORATION (US) | 1989-01-31 | — | — | US | disclosed |
| EP-0280269-A1 | 3-Amino-dihydro-[1]-benzopyrans and benzothiopyrans | CIBA-GEIGY AG (CH) | 1988-08-31 | — | — | EP | disclosed |
| EP-0222996-A2 | 3-Amino-dihydro(1)benzopyrane and benzothiopyrane | CIBA-GEIGY AG (CH) | 1987-05-27 | — | — | EP | disclosed |