Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28396132 | 0.95 | CA2 (0.48) | CA2CYP3A4TSHRNFKB1NPSR1 | |
| SCHEMBL6309267 | 0.95 | CA2 (0.52) | CA2CYP3A4TSHRNFKB1NPSR1 | |
| SCHEMBL11368023 | 0.86 | NFKB1 (0.52) | CA2CYP3A4TSHRNFKB1NPSR1 | |
| SCHEMBL11291908 | 0.86 | CYP3A4 (0.48) | CA2CYP3A4TSHRNFKB1NPSR1 | |
| SCHEMBL7092099 | 0.85 | CA2 (0.49) | CA2CYP3A4TSHRNFKB1NPSR1 | |
| SCHEMBL6255509 | 0.83 | CA2 (0.66) | CA2CYP3A4TSHRTDP1ATM | |
| SCHEMBL1956303 | 0.83 | CA2 (0.66) | CA2CYP3A4TSHRTDP1ATM | |
| SCHEMBL28391064 | 0.83 | CA2 (0.66) | CA2CYP3A4TSHRTDP1ATM | |
| SCHEMBL8766462 | 0.83 | CA2 (0.66) | CA2CYP3A4TSHRTDP1ATM | |
| Zinc Ion SCHEMBL28994507 | 0.83 | CA2 (0.66) | CA2CYP3A4TSHRTDP1ATM |
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-20180312623-A1 | Polyurethane Elastomer with High Ultimate Elongation | WANG LIANG (US) | 2018-11-01 | — | — | US | disclosed |