Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 3/20 | 0.35 |
| ▸ | AGXT | P21549 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL18230874 | 0.81 | SLC6A4 (0.55) | IDO1THRATHRBCYP1A2CYP2A6 | |
| SCHEMBL25393873 | 0.81 | THRA (0.42) | IDO1THRATHRBCYP1A2CYP2A6 | |
| SCHEMBL1072575 | 0.80 | SLC6A2 (0.52) | THRATHRBCYP1A2TAAR1ATM | |
| SCHEMBL1216706 | 0.78 | TSHR (0.47) | IDO1THRATHRBCYP1A2CYP2A6 | |
| SCHEMBL10786742 | 0.78 | ALDH1A1 (0.55) | IDO1TAAR1TSHRAGXTTDP1 | |
| SCHEMBL24337015 | 0.77 | IDO1 (0.38) | IDO1THRATHRBCYP1A2CYP2A6 | |
| SCHEMBL25306760 | 0.77 | THRA (0.34) | THRATHRBTAAR1ESR1SLC6A2 | |
| SCHEMBL10921319 | 0.76 | ESR1 (0.39) | IDO1THRATHRBCYP1A2CYP2A6 | |
| SCHEMBL27884322 | 0.76 | CYP1A2 (0.41) | IDO1THRATHRBCYP1A2CYP2A6 | |
| SCHEMBL29281407 | 0.76 | ESR1 (0.41) | IDO1THRATHRBCYP1A2CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005012209-A2 | CATALYZED ENANTIOSELECTIVE TRANSFORMATION OF ALKENES | UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2005-02-10 | — | — | WO | claimed |
| WO-2005012209-A2 | CATALYZED ENANTIOSELECTIVE TRANSFORMATION OF ALKENES | UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2005-02-10 | — | — | WO | disclosed |