Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MLNR | O43193 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| SCHEMBL18743290 | 0.80 | CREBBP (0.44) | TDP1ESR1ESR2CA1CA9 | |
| SCHEMBL11926950 | 0.80 | CREBBP (0.44) | TDP1ESR1ESR2CA1CA9 | |
| SCHEMBL3269864 | 0.79 | ESR1 (0.61) | TDP1ESR1ESR2DRD2DRD3 | |
| SCHEMBL17321070 | 0.79 | PBRM1 (0.49) | TDP1ESR1ESR2CA1CA9 | |
| SCHEMBL17233208 | 0.79 | PBRM1 (0.49) | TDP1ESR1ESR2CA1CA9 | |
| SCHEMBL15293417 | 0.79 | DRD2 (0.51) | TDP1ESR1ESR2NPC1RAB9A | |
| SCHEMBL19188071 | 0.79 | TDP1 (0.38) | TDP1ESR1ESR2CA1CA9 | |
| SCHEMBL10441741 | 0.79 | DRD2 (0.51) | TDP1ESR1ESR2NPC1RAB9A | |
| SCHEMBL8188224 | 0.79 | DRD2 (0.51) | TDP1ESR1ESR2NPC1RAB9A | |
| SCHEMBL23940459 | 0.78 | CYP4F2 (0.36) | ESR1ESR2CYP4F2CYP4A11MLNR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3299364-B1 | NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF | ZHEJIANG AUSUN PHARMACEUTICAL CO LTD (CN) | 2021-10-20 | — | — | EP | disclosed |