Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CTSD | P07339 | 1/20 | 0.45 |
| ▸ | P2RX1 | P51575 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4332289 | 0.85 | TSHR (0.58) | TSHRCTSDP2RX1ALDH1A1GPR35 | |
| SCHEMBL16951102 | 0.82 | TSHR (0.46) | TSHRCTSDP2RX1ALDH1A1GPR35 | |
| SCHEMBL6292 | 0.78 | TSHR (0.49) | TSHRCTSDALDH1A1GPR35LMNA | |
| SCHEMBL38654770 | 0.78 | TSHR (0.49) | TSHRCTSDALDH1A1GPR35LMNA | |
| SCHEMBL1456960 | 0.78 | GPR35 (0.67) | TSHRCTSDP2RX1ALDH1A1GPR35 | |
| SCHEMBL16957348 | 0.77 | P2RX1 (0.42) | TSHRCTSDP2RX1ALDH1A1GPR35 | |
| SCHEMBL103644 | 0.77 | CTSD (0.65) | TSHRCTSDALDH1A1MAPTHTT | |
| Hydrochloric Acid SCHEMBL21693740 | 0.77 | TSHR (0.47) | TSHRCTSDALDH1A1GPR35LMNA | |
| SCHEMBL9318978 | 0.76 | TDP1 (0.50) | TSHRCTSDALDH1A1GPR35TDP1 | |
| SCHEMBL267327 | 0.76 | GPR35 (0.56) | TSHRCTSDALDH1A1GPR35TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2403852-A1 | 3H-IMIDAZO [4, 5 -C]PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS | Boehringer Ingelheim International GmbH (DE) | 2012-01-11 | — | — | EP | disclosed |
| WO-2010100249-A1 | 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-10 | — | — | WO | disclosed |