Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL3951063 | 0.88 | CA4 (0.41) | CYP2C19TSHRALDH1A1CA12CA9 | |
| Hydrochloric Acid SCHEMBL9721484 | 0.85 | CA4 (0.39) | CYP2C19TSHRALDH1A1CA12CA9 | |
| Nitrogen SCHEMBL7754822 | 0.83 | CA4 (0.38) | CYP2C19TSHRALDH1A1CA12CA9 | |
| SCHEMBL9936059 | 0.80 | TSHR (0.43) | ACHETSHRCA12CA9CES1 | |
| SCHEMBL31006745 | 0.80 | CA4 (0.54) | CA12CA9HPGDTRPM8CES2 | |
| SCHEMBL23115905 | 0.80 | MAPT (0.58) | CYP2C19TSHRALOX12ALDH1A1TDP1 | |
| SCHEMBL29000966 | 0.80 | CYP2C19 (0.44) | CYP2C19ACHETSHRLMNAALOX12 | |
| SCHEMBL31006747 | 0.80 | CA4 (0.54) | CA12CA9HPGDTRPM8CES2 | |
| Sulfuric Acid SCHEMBL30998027 | 0.76 | CA12 (0.41) | TSHRALDH1A1CA12CA9HPGD | |
| Sulfuric Acid SCHEMBL30998026 | 0.76 | CA12 (0.41) | TSHRALDH1A1CA12CA9HPGD |
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-1581467-A4 | LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON | MASSACHUSETTS INST TECHNOLOGY (US) | 2008-08-13 | — | — | EP | disclosed |
| EP-1581467-A2 | LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2005-10-05 | — | — | EP | disclosed |
| WO-2004052939-A2 | LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2004-06-24 | — | — | WO | disclosed |