Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6832950 | 1.00 | TAS1R3 (0.36) | TAS1R3TAS1R1CTSKCA1CA2 | |
| SCHEMBL28432823 | 0.90 | CA2 (0.46) | CTSKCA1CA2MEN1GAA | |
| SCHEMBL28932005 | 0.90 | CA2 (0.46) | CTSKCA1CA2MEN1GAA | |
| SCHEMBL853122 | 0.89 | CTSK (0.37) | CTSKCA1CA2HDAC1HDAC2 | |
| SCHEMBL853121 | 0.89 | CTSK (0.37) | CTSKCA1CA2HDAC1HDAC2 | |
| SCHEMBL7691582 | 0.86 | CA2 (0.41) | CTSKCA1CA2TDP1KMT2A | |
| SCHEMBL7691581 | 0.86 | CA2 (0.41) | CTSKCA1CA2TDP1KMT2A | |
| SCHEMBL29026540 | 0.84 | CTSK (0.36) | CTSKMEN1KMT2AFAAHCYP3A4 | |
| SCHEMBL10291076 | 0.84 | HDAC1 (0.46) | CTSKCA1CA2HDAC1HDAC2 | |
| SCHEMBL29190466 | 0.84 | CTSK (0.35) | CTSKFAAH |
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-6677419-B1 | REACTING STOICHIOMETRIC EXCESS OF UNSATURATED ALICYCLIC MONOMER WITH ANOTHER UNSATURATED MONOMER, HAVING LESS THAN TWO ELECTRON-WITHDRAWING GROUPS APPENDED TO UNSATURATION, IN PRESENCE OF FREE RADICAL INITIATOR | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2004-01-13 | — | — | US | disclosed |