Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.58 |
| ▸ | GAA | P10253 | 3/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 12/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.54 |
| ▸ | GLA | P06280 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 9/20 | 0.47 |
| ▸ | CASP7 | P55210 | 7/20 | 0.47 |
| ▸ | CASP1 | P29466 | 6/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 6/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL15135212 | 0.79 | ALDH1A1 (0.58) | ALDH1A1KDM4EGAAHPGDCYP1A2 | |
| SCHEMBL2220221 | 0.76 | NPC1 (0.42) | ALDH1A1KDM4EGAAHPGDCYP1A2 | |
| SCHEMBL14006981 | 0.74 | ALDH1A1 (0.66) | ALDH1A1KDM4EGAAHPGDCYP1A2 | |
| SCHEMBL14006985 | 0.74 | ALDH1A1 (1.00) | ALDH1A1KDM4EGAAHPGDCYP1A2 | |
| SCHEMBL7415940 | 0.73 | ALDH1A1 (0.56) | ALDH1A1KDM4EGAAHPGDCYP1A2 | |
| SCHEMBL28736705 | 0.73 | ALDH1A1 (0.68) | ALDH1A1KDM4EGAAHPGDCYP1A2 | |
| SCHEMBL7694822 | 0.72 | CYP1A2 (0.68) | ALDH1A1KDM4EGAAHPGDCYP1A2 | |
| SCHEMBL7698689 | 0.71 | ALDH1A1 (0.61) | ALDH1A1KDM4EGAAHPGDCYP1A2 | |
| SCHEMBL15106581 | 0.70 | ALDH1A1 (0.56) | ALDH1A1KDM4EGAAHPGDCYP1A2 | |
| SCHEMBL29935990 | 0.69 | KDM4E (0.47) | ALDH1A1KDM4EGAAHPGDGLA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6352994-B2 | NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS | MERCK SHARP & DOHME LIMITED (GB) | 2002-03-05 | — | — | US | disclosed |
| US-20010018438-A1 | Substituted 1H-pyridinyl-2-ones as GABAA alpha 2/3 ligands | MERCK SHARP & DOHME LIMITED | 2001-08-30 | — | — | US | disclosed |
| US-6200982-B1 | USEFUL IN THERAPY OF DELETERIOUS MENTAL STATES | MERCK & DOHME LIMITED (GB) | 2001-03-13 | — | — | US | disclosed |
| EP-0994873-A1 | SUBSTITUTED 1H-PYRIDINYL-2-ONES AS GABA A?ALPHA 2/3 LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 2000-04-26 | — | — | EP | disclosed |
| WO-1998055480-A1 | SUBSTITUTED 1H-PYRIDINYL-2-ONES AS GABAAALPHA 2/3 LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1998-12-10 | — | — | WO | 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-20010018438-A1 | Substituted 1H-pyridinyl-2-ones as GABAA alpha 2/3 ligands | GABRB2, GABRB3, GABRB1 | ALDH1A1 484/4885KDM4E 4019/4885GAA 2288/4885 |
“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.