Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 7/20 | 0.53 |
| ▸ | CA1 | P00915 | 7/20 | 0.53 |
| ▸ | CA2 | P00918 | 7/20 | 0.53 |
| ▸ | CA9 | Q16790 | 7/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | PPARA | Q07869 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.44 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.44 |
| ▸ | SLCO1B1 | Q9Y6L6 | 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 | |
|---|---|---|---|---|
| SCHEMBL21609699 | 0.88 | CA12 (0.55) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL7966619 | 0.81 | CA12 (0.41) | CA12CA1CA2CA9BRD4 | |
| SCHEMBL21609702 | 0.81 | CA12 (0.52) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL4278756 | 0.81 | CA12 (0.51) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL14313674 | 0.79 | CA12 (0.70) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL12693236 | 0.79 | CA12 (0.50) | CA12CA1CA2CA9CYP1A1 | |
| SCHEMBL21648040 | 0.79 | BRD4 (0.50) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL1005270 | 0.79 | CA12 (0.65) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL14981756 | 0.79 | BRD4 (0.48) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL8698623 | 0.79 | CA1 (0.54) | CA12CA1CA2CA9BRD4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6281206-B1 | AMIDINO AND BENZAMIDINO COMPOUNDS | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2001-08-28 | — | — | US | disclosed |