Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | CASR | P41180 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6839397 | 0.73 | CTNNB1 (0.38) | ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6839393 | 0.73 | CTNNB1 (0.38) | ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7175453 | 0.68 | AOC3 (0.36) | ALDH1A1CYP1A2CYP2C9CYP2C19AOC3 | |
| SCHEMBL10971605 | 0.67 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CYP2C9CYP2C19AOC3 | |
| SCHEMBL29115067 | 0.67 | ADRA2A (0.33) | CYP1A2CYP2C9CYP2C19ADRB2ADRB1 | |
| SCHEMBL3746947 | 0.66 | CYP2C9 (0.36) | CYP2C9CYP2C19ADRB2ADRB1ADRB3 | |
| SCHEMBL16820864 | 0.66 | — | — | |
| SCHEMBL16820863 | 0.66 | — | — | |
| SCHEMBL3296647 | 0.65 | — | — | |
| SCHEMBL25009949 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6767920-B2 | ADMINISTERING TO AN ANIMAL HAVING OCULAR HYPERTENSION OR GLAUCOMA THERAPEUTICALLY EFFECTIVE AMOUNT OF 3 OR 7 OR 3 AND 7 THIA-PROSTANOIC ACID, ESTER, AMIDE, PHOSPHONATE OR OTHER DERIVATIVES | ALLERGAN, INC. | 2004-07-27 | — | — | US | disclosed |
| US-20030144254-A1 | 3, 7 or 3 and 7 thia or oxa prostanoic acid derivatives as agents for lowering intraocular pressure | ALLERGAN SALES, INC. | 2003-07-31 | — | — | US | disclosed |
| US-20030027853-A1 | Potent ocular hypotensives that are particularly suited for the management of glaucoma. | ALLERGAN SALES, INC. | 2003-02-06 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030027853-A1 | Potent ocular hypotensives that are particularly suited for the management of glaucoma. | CBR3, SCO2, CBR1 | ALDH1A1 2604/4885CYP1A2 345/4885CYP2C9 847/4885 |
| US-20030144254-A1 | 3, 7 or 3 and 7 thia or oxa prostanoic acid derivatives as agents for lowering intraocular pressure | PTGIR, OXER1, CBR1 | ALDH1A1 1012/4885CYP1A2 262/4885CYP2C9 720/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.