Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.68 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.51 |
| ▸ | ITK | Q08881 | 4/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.50 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7946248 | 0.88 | CYP19A1 (0.68) | CYP19A1MAP2K4ITKCYP2A6NPY5R | |
| SCHEMBL1606072 | 0.83 | CYP19A1 (0.65) | CYP19A1MAP2K4CYP2A6NPY5RNPC1 | |
| SCHEMBL1605712 | 0.82 | CYP19A1 (0.68) | CYP19A1CYP2A6NPY5RHPGDCYP3A4 | |
| SCHEMBL1605273 | 0.82 | CYP19A1 (0.68) | CYP19A1CYP2A6NPY5RKDM4ENPC1 | |
| SCHEMBL1120933 | 0.81 | CYP19A1 (0.62) | CYP19A1ITKNPY5RKDM4EHSD17B10 | |
| SCHEMBL29790209 | 0.81 | CYP19A1 (1.00) | CYP19A1ITKKDM4EHSD17B10NPC1 | |
| SCHEMBL2789486 | 0.81 | CYP19A1 (1.00) | CYP19A1ITKKDM4EHSD17B10NPC1 | |
| SCHEMBL13541758 | 0.80 | RAB9A (0.63) | CYP19A1ITKKDM4EHSD17B10NPC1 | |
| Hydrochloric Acid SCHEMBL27830550 | 0.80 | CYP19A1 (0.97) | CYP19A1ITKKDM4EHSD17B10NPC1 | |
| SCHEMBL4568283 | 0.78 | CYP19A1 (0.58) | CYP19A1CYP2A6NPY5RKDM4ENPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010111634-A2 | RENIN INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-30 | — | — | WO | disclosed |