Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 3/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 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 | |
|---|---|---|---|---|
| SCHEMBL11782527 | 1.00 | CA1 (0.46) | CA1CA2ALDH1A1ATMTHRB | |
| SCHEMBL2690147 | 1.00 | CA1 (0.46) | CA1CA2ALDH1A1ATMTHRB | |
| SCHEMBL5632799 | 1.00 | CA1 (0.46) | CA1CA2ALDH1A1ATMTHRB | |
| SCHEMBL10349692 | 1.00 | CA1 (0.46) | CA1CA2ALDH1A1ATMTHRB | |
| SCHEMBL28457970 | 1.00 | CA1 (0.46) | CA1CA2ALDH1A1ATMTHRB | |
| SCHEMBL9464351 | 1.00 | CA1 (0.46) | CA1CA2ALDH1A1ATMTHRB | |
| Ammonia Solution, Strong SCHEMBL26977349 | 0.98 | CA1 (0.45) | CA1CA2ALDH1A1ATMTHRB | |
| SCHEMBL2692695 | 0.98 | ALDH1A1 (0.45) | CA1CA2ALDH1A1ATMTHRB | |
| SCHEMBL5163852 | 0.93 | NAAA (0.46) | CA1CA2ALDH1A1TSHRHCAR2 | |
| SCHEMBL31272734 | 0.93 | NAAA (0.46) | CA1CA2ALDH1A1TSHRHCAR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-8003086-A | — | — | None | — | — | JP | disclosed |
| JP-H083086-A | PRODUCTION OF FLUORINATED ALCOHOL | IDEMITSU PETROCHEM CO LTD | 1996-01-09 | — | — | JP | disclosed |