Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.36 |
| ▸ | CYP2A13 | Q16696 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL9058336 | 0.80 | HTT (0.36) | HTTHRH3ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL9057846 | 0.76 | KMT2A (0.38) | HTTALDH1A1KMT2ASMN1; SMN2KDM1A | |
| SCHEMBL9057893 | 0.72 | CA2 (0.50) | HRH3 | |
| SCHEMBL8950339 | 0.66 | CA2 (0.41) | HTTHRH3ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL10725828 | 0.64 | HTT (0.53) | HTTHRH3CYP2A13ALDH1A1KMT2A | |
| SCHEMBL16182099 | 0.64 | HTT (0.53) | HTTHRH3CYP2A13ALDH1A1KMT2A | |
| SCHEMBL5256185 | 0.62 | HTT (0.54) | HTTHRH3CYP2A13ALDH1A1KMT2A | |
| SCHEMBL14080631 | 0.62 | HTT (0.50) | HTTHRH3CYP2A13ALDH1A1KMT2A | |
| SCHEMBL14235132 | 0.62 | HTT (0.50) | HTTHRH3CYP2A13ALDH1A1KMT2A | |
| SCHEMBL8950469 | 0.62 | KMT2A (0.39) | HTTHRH3ALDH1A1KMT2ASMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996022099-A1 | OPHTHALMIC COMPOSITIONS FOR TREATING GLAUCOMA | ALCON LABORATORIES, INC. (US) | 1996-07-25 | — | — | WO | disclosed |
| US-5538966-A | ENZYME INHIBITORS FOR TREATMENT OF GLAUCOMA | ALCON LABORATORIES, INC. (US) | 1996-07-23 | — | — | US | disclosed |
| WO-1995019981-A1 | THIENOTHIAZINE SULFONAMIDE DERIVATIVES PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS CARBONIC ANHYDRASE INHIBITORS | ALCON LABORATORIES, INC. (US) | 1995-07-27 | — | — | WO | disclosed |