Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL594277 | 0.85 | GPR35 (0.44) | ALDH1A1TDP1GPR35MCL1MEN1 | |
| SCHEMBL27812647 | 0.84 | GPR35 (0.50) | ALDH1A1TDP1GPR35MCL1HPGD | |
| SCHEMBL7063757 | 0.82 | GPR35 (0.48) | ALDH1A1GPR35MCL1HPGDSMN1; SMN2 | |
| SCHEMBL5206322 | 0.80 | ALDH1A1 (0.54) | ALDH1A1TDP1GPR35MCL1HPGD | |
| SCHEMBL19700181 | 0.80 | ALDH1A1 (0.48) | ALDH1A1TDP1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL11394486 | 0.78 | TDP1 (0.52) | ALDH1A1TDP1GPR35MEN1KMT2A | |
| SCHEMBL258792 | 0.78 | GPR35 (0.55) | ALDH1A1TDP1GPR35HPGDSMN1; SMN2 | |
| SCHEMBL30735630 | 0.77 | GRIN2D (0.41) | ALDH1A1TDP1SMN1; SMN2GRIN2DGRIN3B | |
| SCHEMBL6786414 | 0.77 | ALDH1A1 (0.48) | ALDH1A1TDP1MEN1KMT2AGRIN2D | |
| SCHEMBL19690418 | 0.77 | GRIN2D (0.41) | ALDH1A1TDP1SMN1; SMN2GRIN2DGRIN3B |
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 |
|---|---|---|---|---|---|---|---|
| CN-102558231-A | Ophthalmic compositions for treating ocular hypertension | MERCK & CO INC | 2012-07-11 | — | — | CN | disclosed |
| CN-1845904-A | Ophthalmic composition for treating ocular hypertension | MERCK & CO INC (US) | 2006-10-11 | — | — | CN | disclosed |