Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | CASR | P41180 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11705367 | 0.92 | TAS1R3 (0.40) | TAS1R3TAS1R1SLC6A3SMN1; SMN2TDP1 | |
| SCHEMBL9330269 | 0.86 | CYP19A1 (0.46) | CYP19A1CNR1CNR2SLC6A3CA12 | |
| SCHEMBL6546820 | 0.80 | CNR1 (0.51) | CYP19A1CNR1CNR2SLC6A3SMN1; SMN2 | |
| SCHEMBL11706340 | 0.79 | SLC6A3 (0.41) | TAS1R3TAS1R1CNR1CNR2SLC6A3 | |
| SCHEMBL11500415 | 0.78 | SLC6A3 (0.40) | CNR1CNR2SLC6A3 | |
| SCHEMBL11443940 | 0.78 | SLC6A3 (0.40) | CNR1CNR2SLC6A3 | |
| SCHEMBL11705080 | 0.78 | SLC6A3 (0.40) | CNR1CNR2SLC6A3 | |
| SCHEMBL11705335 | 0.78 | SLC6A3 (0.40) | CNR1CNR2SLC6A3 | |
| SCHEMBL11701801 | 0.78 | SLC6A3 (0.40) | CNR1CNR2SLC6A3 | |
| SCHEMBL11702380 | 0.78 | SLC6A3 (0.40) | CNR1CNR2SLC6A3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5264407-A | Crystalline metalloaluminum borates | AMOCO CORPORATION (US) | 1993-11-23 | — | — | US | disclosed |
| US-5084259-A | Catalysts for hydrogenation of hydrocarbons | AMOCO CORPORATION (US) | 1992-01-28 | — | — | US | disclosed |
| US-4863888-A | Catalyst containing cobalt boron and oxygen and optionally aluminum of preparation and process | AMOCO CORPORATION (US) | 1989-09-05 | — | — | US | disclosed |