Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.40 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17937021 | 0.87 | ALDH1A1 (0.42) | ALDH1A1ALOX15TSHRMAP2K2MAP2K1 | |
| SCHEMBL16199758 | 0.87 | MAP2K2 (0.42) | ALDH1A1ALOX15TSHRMAP2K2MAP2K1 | |
| SCHEMBL13190095 | 0.86 | ALDH1A1 (0.46) | ALDH1A1ALOX15TSHRMAP2K2MAP2K1 | |
| SCHEMBL1964928 | 0.82 | ALDH1A1 (0.46) | ALDH1A1ALOX15TSHRTDP1TP53 | |
| SCHEMBL13108747 | 0.80 | TSHR (0.39) | ALDH1A1ALOX15TSHRMAP2K2MAP2K1 | |
| SCHEMBL670956 | 0.78 | ALDH1A1 (0.57) | ALDH1A1HTTNPSR1POLBSMN1; SMN2 | |
| SCHEMBL13189717 | 0.78 | KDM4C (0.39) | ALDH1A1MAP2K2MAP2K1KDM4E | |
| SCHEMBL13190096 | 0.78 | ALDH1A1 (0.37) | ALDH1A1ALOX15TSHRNPSR1POLB | |
| SCHEMBL23970830 | 0.77 | KDM4E (0.52) | ALDH1A1ALOX15TSHRTDP1POLB | |
| SCHEMBL364335 | 0.76 | TSHR (0.53) | ALDH1A1TSHRPOLBJMJD6L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |