Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17488165 | 0.80 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3CYP19A1HTT | |
| SCHEMBL14033619 | 0.80 | SLC6A2 (0.63) | SLC6A2SLC6A4SLC6A3KDM4ETSHR | |
| SCHEMBL14033203 | 0.79 | SLC6A2 (0.53) | SLC6A2SLC6A4SLC6A3KDM4ETSHR | |
| Hydrochloric Acid SCHEMBL11199246 | 0.78 | SLC6A2 (0.61) | SLC6A2SLC6A4SLC6A3KDM4ETSHR | |
| SCHEMBL14621795 | 0.77 | SLC6A3 (0.46) | SLC6A2SLC6A4SLC6A3HTTMEN1 | |
| Hydrochloric Acid SCHEMBL20897391 | 0.77 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3KDM4ETSHR | |
| SCHEMBL7767768 | 0.77 | SLC6A3 (0.46) | SLC6A2SLC6A4SLC6A3MEN1KMT2A | |
| SCHEMBL38664568 | 0.77 | SLC6A2 (0.48) | SLC6A2SLC6A4SLC6A3CYP19A1TSHR | |
| SCHEMBL17488166 | 0.76 | SLC6A3 (0.42) | SLC6A2SLC6A4SLC6A3CYP19A1HTT | |
| SCHEMBL9161512 | 0.76 | TSHR (0.54) | CYP19A1TSHRALDH1A1OPRD1CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5473078-A | Aromatase inhibiting compounds | CIBA-GEIGY CORPORATION (US) | 1995-12-05 | — | — | US | disclosed |
| US-5352795-A | Condensing triazolylmethylbenzonitrile with fluorobenzonitrile under basic conditions using alkali metal alkoxide | CIBA-GEIGY CORPORATION (US) | 1994-10-04 | — | — | US | disclosed |
| US-5112845-A | Inhibitors of estrogen synthesis, veterinary medicine | CIBA-GEIGY CORPORATION (US) | 1992-05-12 | — | — | US | disclosed |
| US-4978672-A | Alpha-heterocyclc substituted tolunitriles | CIBA-GEIGY CORPORATION (US) | 1990-12-18 | — | — | US | disclosed |