Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.30 |
| ▸ | HTR3B | O95264 | 1/20 | 0.30 |
| ▸ | HTR3A | P46098 | 1/20 | 0.30 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.30 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.30 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7491935 | 0.77 | DYRK1A (0.44) | CYP1A2CYP2A6ALDH1A1MEN1KMT2A | |
| SCHEMBL16954758 | 0.77 | CYP1A2 (0.35) | CYP1A2CYP2A6ALDH1A1MEN1KMT2A | |
| SCHEMBL6535090 | 0.77 | CES2 (0.44) | CYP1A2ALDH1A1KMT2ATSHRLMNA | |
| SCHEMBL95210 | 0.76 | TSHR (0.42) | CYP1A2CYP2A6ALDH1A1MEN1KMT2A | |
| SCHEMBL94460 | 0.76 | GAA (0.33) | GABRA1GABRB2 | |
| SCHEMBL97421 | 0.75 | — | — | |
| SCHEMBL102469 | 0.74 | CYP1A2 (0.36) | CYP1A2CYP2A6ALDH1A1MEN1KMT2A | |
| SCHEMBL222199 | 0.74 | — | — | |
| SCHEMBL10490638 | 0.73 | — | — | |
| SCHEMBL8098752 | 0.73 | JAK2 (0.31) | LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-6096920-A | LARGE-SCALE PRODUCTION OF CERTAIN AROMATICALLY-SUBSTITUTED ALIPHATIC CARBOXYLIC ACIDS AND THEIR ACID DERIVATIVES | ALBEMARLE CORPORATION (US) | 2000-08-01 | — | — | US | disclosed |