Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8950606 | 0.88 | CA2 (0.36) | CA2CA4GAAGFERL3MBTL1 | |
| SCHEMBL8950417 | 0.79 | ALDH1A1 (0.44) | CA2CA4SMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL8950506 | 0.70 | GAA (0.31) | CA2CA4GAAL3MBTL1ALDH1A1 | |
| SCHEMBL31229852 | 0.60 | MGLL (0.50) | CYP1A2MGLLLMNAALDH1A1HPGD | |
| SCHEMBL14088564 | 0.59 | SLC6A2 (0.65) | SLC6A2SLC6A3 | |
| 1,3-Dimethoxybenzene SCHEMBL27952551 | 0.58 | MAPK1 (0.58) | CA2CYP3A4LMNAALDH1A1NPC1 | |
| SCHEMBL18814554 | 0.58 | KMT2A (0.60) | CA2CA4GAACYP1A2MGLL | |
| SCHEMBL719924 | 0.57 | HSD17B10 (0.54) | CYP1A2SMN1; SMN2MGLLLMNAALDH1A1 | |
| SCHEMBL23749751 | 0.57 | ALDH1A1 (0.44) | GFERCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL96382 | 0.57 | TAAR1 (0.60) | CYP1A2 |
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-5538966-A | ENZYME INHIBITORS FOR TREATMENT OF GLAUCOMA | ALCON LABORATORIES, INC. (US) | 1996-07-23 | — | — | US | disclosed |