Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | HPGD | P15428 | 3/20 | 0.58 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.58 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.58 |
| ▸ | ABAT | P80404 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.58 |
| ▸ | FDPS | P14324 | 1/20 | 0.54 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.53 |
| ▸ | TTR | P02766 | 1/20 | 0.50 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30845321 | 1.00 | ALDH1A1 (0.63) | ALDH1A1TSHRHPGDTRIM24ALDH5A1 | |
| SCHEMBL1965979 | 0.85 | ALDH1A1 (0.63) | ALDH1A1TSHRHPGDTRIM24ALDH5A1 | |
| Hydrochloric Acid SCHEMBL1966184 | 0.84 | ALDH1A1 (0.61) | ALDH1A1TSHRHPGDTRIM24ALDH5A1 | |
| SCHEMBL24758378 | 0.81 | CYP1A1 (0.44) | ALDH1A1TSHRHPGDTRIM24ALDH5A1 | |
| SCHEMBL16960053 | 0.81 | CYP1A1 (0.44) | ALDH1A1TSHRHPGDTRIM24ALDH5A1 | |
| SCHEMBL16958135 | 0.81 | TRPA1 (0.58) | ALDH1A1TSHRHPGDTRIM24ALDH5A1 | |
| SCHEMBL6863993 | 0.81 | ALDH1A3 (0.49) | ALDH1A1TSHRHPGDTRIM24ALDH5A1 | |
| SCHEMBL15201273 | 0.80 | ALDH1A1 (0.56) | ALDH1A1TSHRHPGDTRIM24ALDH5A1 | |
| SCHEMBL10486972 | 0.78 | TTR (0.55) | ALDH1A1TSHRHPGDTRIM24ALDH5A1 | |
| 3,4-Dimethoxybenzaldehyde SCHEMBL5308959 | 0.78 | ALDH1A1 (1.00) | ALDH1A1TSHRHPGDTRIM24ALDH5A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117916239-A | 3-Substituted 1H-pyrrolo [2,3-b ] pyridines as GRK5 modulators | 利德探索中心股份有限公司 | 2024-04-19 | — | — | CN | disclosed |
| EP-2814814-B1 | IMIDAZOLYLKETONE DERIVATIVES ASD ALDOSTERONE SYNTHASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2019-05-08 | — | — | EP | disclosed |
| US-9464058-B2 | Imidazolylketone derivatives | HOFFMANN-LA ROCHE INC. (US) | 2016-10-11 | — | — | US | disclosed |
| EP-2814814-A1 | IMIDAZOLYLKETONE DERIVATIVES ASD ALDOSTERONE SYNTHASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-12-24 | — | — | EP | disclosed |
| US-20140128429-A1 | NEW IMIDAZOLYLKETONE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2014-05-08 | — | — | US | disclosed |
| WO-2013120771-A1 | IMIDAZOLYLKETONE DERIVATIVES ASD ALDOSTERONE SYNTHASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-08-22 | — | — | WO | disclosed |
| US-20100298347-A1 | SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY | MERCK FROSST CANADA LTD (CA) | 2010-11-25 | — | — | US | disclosed |
| WO-2009070873-A1 | SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY | MERCK FROSST CANADA LTD. (CA) | 2009-06-11 | — | — | WO | disclosed |
| EP-0294647-B1 | THIADIAZINONES | MERCK PATENT GmbH (DE) | 1993-07-21 | — | — | EP | disclosed |
| EP-0294647-A2 | Thiadiazinones | MERCK PATENT GmbH (DE) | 1988-12-14 | — | — | EP | 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-20100298347-A1 | SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY | GPR119, GPR52, GPR35 | ALDH1A1 2522/4885TSHR 1963/4885HPGD 1446/4885 |
| US-20140128429-A1 | NEW IMIDAZOLYLKETONE DERIVATIVES | KCNK4, NEK5, FN3KRP | ALDH1A1 1697/4885TSHR 1652/4885HPGD 3187/4885 |
“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.