Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.40 |
| ▸ | ERN1 | O75460 | 3/20 | 0.39 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | RAB9A | P51151 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL1908578 | 0.84 | ALDH1A1 (0.34) | ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1 | |
| SCHEMBL14508482 | 0.76 | CYP2A6 (0.41) | ALDH1A1ERN1TRIM24TYRTRIM33 | |
| SCHEMBL24994674 | 0.73 | ALDH1A1 (0.41) | ALDH1A1ERN1TRIM24TYRTRIM33 | |
| SCHEMBL616550 | 0.73 | — | — | |
| SCHEMBL21395529 | 0.69 | ERN1 (0.39) | ALDH1A1ERN1TRIM24TYRTRIM33 | |
| SCHEMBL1908581 | 0.69 | NPC1 (0.35) | RAB9ANPC1 | |
| SCHEMBL21379479 | 0.68 | ALDH1A1 (0.42) | ALDH1A1ERN1TRIM24TYRTRIM33 | |
| SCHEMBL22960799 | 0.67 | ERN1 (0.41) | ALDH1A1ERN1TRIM24TYRTRIM33 | |
| SCHEMBL28910023 | 0.66 | ALDH1A1 (0.44) | ALDH1A1ERN1TRIM24TYRTRIM33 | |
| SCHEMBL10728453 | 0.66 | ERN1 (0.53) | ALDH1A1ERN1TRIM24TYRTRIM33 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120041041-A1 | 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY | NOVARTIS AG | 2012-02-16 | — | — | US | disclosed |
| US-8076489-B2 | 3H-benzothiazol-2-one derivatives, for example, (R)-7-[2-(1,1-dimethyl-2-phenyl-ethylamino)-1-hydroxy-ethyl]-5-hydroxy-3H-benzothiazol-2-one; useful for treating conditions that are prevented or alleviated by activation of the beta 2-adrenoreceptor | NOVARTIS AG (CH) | 2011-12-13 | — | — | 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 (1 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-20120041041-A1 | 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY | ADRB2, ADRB1, ADRA2C | ALDH1A1 525/4885ERN1 4023/4885TRIM24 4357/4885 |
“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.