Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 4/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.41 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.39 |
| ▸ | KDM6B | O15054 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | APEX1 | P27695 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 2/20 | 0.37 |
| ▸ | BLM | P54132 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8917076 | 0.81 | ESR2 (0.44) | MAPTHPGDRECQLBLMKDM4E | |
| SCHEMBL183507 | 0.80 | TSHR (0.33) | KMT2AMAPK1TSHR | |
| SCHEMBL183508 | 0.74 | MAOB (0.48) | BLMCYP3A4TSHRCA1CA2 | |
| SCHEMBL10547022 | 0.74 | HPGD (0.62) | MAPTHPGDRECQLKDM4ECYP3A4 | |
| SCHEMBL26638222 | 0.73 | ADRB2 (0.62) | ADRB2ADRB1KDM4ELMNAADRB3 | |
| SCHEMBL4192132 | 0.72 | ADRB2 (0.47) | ADRB2ADRB1MAPTHPGDRECQL | |
| SCHEMBL1052924 | 0.72 | ALDH1A1 (0.52) | ADRB2ADRB1RECQLKDM4EKMT2A | |
| SCHEMBL10271635 | 0.72 | PPARD (0.53) | MAPTHPGDCYP3A4LMNAADORA3 | |
| SCHEMBL4188713 | 0.72 | ADRB2 (0.44) | ADRB2ADRB1MAPTHPGDRECQL | |
| SCHEMBL109613 | 0.71 | TDP1 (0.42) | MAPTTDP1CYP3A4MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3271959-B1 | PREPARATION OF TITANIUM CATECHOLATE COMPLEXES IN AQUEOUS SOLUTION USING TITANIUM TETRACHLORIDE OR TITANIUM OXYCHOLORIDE | LOCKHEED MARTIN ENERGY LLC (US) | 2020-03-04 | — | — | EP | disclosed |