Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | RXRG | P48443 | 1/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL21202197 | 1.00 | ALDH1A1 (0.40) | ALDH1A1LMNAPOLBCYP1A2HPGD | |
| SCHEMBL3300164 | 0.81 | RXRA (0.40) | ALDH1A1LMNAPOLBCYP1A2HPGD | |
| SCHEMBL18493140 | 0.81 | CYP4F2 (0.46) | ALDH1A1LMNAPOLBRXRARXRB | |
| SCHEMBL5413224 | 0.81 | RXRA (0.54) | ALDH1A1LMNAPOLBCYP1A2HPGD | |
| SCHEMBL1982129 | 0.80 | PDE9A (0.41) | ALDH1A1CYP1A2HPGDCYP2C9PDE9A | |
| SCHEMBL24012595 | 0.80 | CYP4F2 (0.54) | ALDH1A1LMNAPOLBRXRARXRB | |
| SCHEMBL31129241 | 0.80 | ALDH1A1 (0.44) | ALDH1A1LMNAPOLBRXRARXRB | |
| SCHEMBL21198455 | 0.80 | ALDH1A1 (0.50) | ALDH1A1LMNAPOLBRXRARXRB | |
| SCHEMBL24610340 | 0.80 | ALDH1A1 (0.50) | ALDH1A1LMNAPOLBRXRARXRB | |
| SCHEMBL12515538 | 0.80 | ALDH1A1 (0.44) | ALDH1A1LMNAPOLBRXRARXRB |
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 |
|---|---|---|---|---|---|---|---|
| CN-111655681-B | Heterocyclylamino-substituted triazoles as modulators of Rho-related protein kinases | 莱德克斯制药公共有限公司 | 2024-01-05 | — | — | CN | disclosed |