Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | PLK1 | P53350 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | LPL | P06858 | 1/20 | 0.41 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL27528867 | 0.83 | LOXL2 (0.47) | SMN1; SMN2ESR1ESR2CA2 | |
| SCHEMBL6264609 | 0.79 | ESR1 (0.67) | ALDH1A1SMN1; SMN2ESR1ESR2TDP1 | |
| SCHEMBL10581272 | 0.79 | ESR1 (0.67) | ALDH1A1SMN1; SMN2ESR1ESR2TDP1 | |
| SCHEMBL19159318 | 0.79 | ESR1 (0.45) | ALDH1A1SMN1; SMN2ESR1ESR2TDP1 | |
| SCHEMBL13577743 | 0.78 | RARB (0.42) | ALDH1A1RXRARXRB | |
| SCHEMBL23145325 | 0.77 | HTT (0.44) | ALDH1A1SMN1; SMN2ESR1ESR2CA2 | |
| SCHEMBL2082470 | 0.77 | ESR1 (0.44) | SMN1; SMN2ESR1ESR2TRPA1CA2 | |
| SCHEMBL23145323 | 0.77 | HTT (0.44) | ALDH1A1SMN1; SMN2ESR1ESR2CA2 | |
| SCHEMBL2082467 | 0.77 | ESR1 (0.44) | SMN1; SMN2ESR1ESR2TRPA1CA2 | |
| SCHEMBL18905528 | 0.77 | ESR1 (0.44) | ALDH1A1SMN1; SMN2ESR1ESR2TP53 |
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-2013006308-A2 | DIHYDROPYRAZOLES | MERCK PATENT GMBH (DE) | 2013-01-10 | — | — | WO | disclosed |