Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.42 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9780752 | 0.87 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL10939157 | 0.84 | GRIA2 (0.50) | CYP1A2NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL74692 | 0.82 | CYP1A2 (0.62) | CYP1A2NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL3953258 | 0.81 | GPR35 (0.60) | CYP1A2TSHRALDH1A1TDP1AKR1B1 | |
| SCHEMBL4388496 | 0.81 | GPR35 (0.53) | CYP1A2NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL27861233 | 0.81 | CYP1A2 (0.60) | CYP1A2NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL28157714 | 0.81 | CYP1A2 (0.60) | CYP1A2NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL1067704 | 0.81 | ALDH1A1 (0.56) | NPC1RAB9ASMN1; SMN2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL2530464 | 0.81 | CYP1A2 (0.60) | CYP1A2NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL28223983 | 0.81 | CYP1A2 (0.60) | CYP1A2NPC1RAB9ASMN1; SMN2CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2079486-A2 | EFFICIENT SYNTHESIS OF CHELATORS FOR NUCLEAR IMAGING AND RADIOTHERAPY: COMPOSITIONS AND APPLICATIONS | The Board of Regents of The University of Texas System (US) | 2009-07-22 | — | — | EP | disclosed |
| WO-2008045604-A2 | EFFICIENT SYNTHESIS OF CHELATORS FOR NUCLEAR IMAGING AND RADIOTHERAPY: COMPOSITIONS AND APPLICATIONS | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2008-04-17 | — | — | WO | disclosed |
| US-4502996-A | Nucleophilic substitution process | ETHYL CORPORATION (US) | 1985-03-05 | — | — | US | disclosed |