Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 9/20 | 0.55 |
| ▸ | GAA | P10253 | 4/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | HTT | P42858 | 3/20 | 0.55 |
| ▸ | GFER | P55789 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.54 |
| ▸ | MAPT | P10636 | 7/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.52 |
| ▸ | HPGD | P15428 | 6/20 | 0.52 |
| ▸ | MEN1 | O00255 | 5/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL25207025 | 0.89 | ALOX15 (0.57) | ALDH1A1HSD17B10GAATSHRHTT | |
| SCHEMBL5399472 | 0.86 | ALDH1A1 (0.67) | ALDH1A1HSD17B10GAATSHRHTT | |
| SCHEMBL5402454 | 0.84 | ALOX15 (0.60) | ALDH1A1HSD17B10GAATSHRKDM4E | |
| SCHEMBL22346709 | 0.84 | KMT2A (0.54) | ALDH1A1GAATSHRHTTKDM4E | |
| SCHEMBL15329883 | 0.84 | TUBB4A (0.57) | ALDH1A1HSD17B10GAATSHRHTT | |
| SCHEMBL29951480 | 0.84 | KMT2A (0.56) | ALDH1A1HSD17B10GAATSHRHTT | |
| SCHEMBL29953042 | 0.84 | ALOX15 (0.60) | ALDH1A1HSD17B10GAATSHRKDM4E | |
| SCHEMBL29954951 | 0.84 | MEN1 (0.58) | ALDH1A1HSD17B10GAAHTTGFER | |
| SCHEMBL15331015 | 0.82 | PTGS1 (0.50) | ALDH1A1HSD17B10GAATSHRHTT | |
| SCHEMBL2800262 | 0.81 | KDM4E (0.57) | ALDH1A1HSD17B10GAAHTTKDM4E |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| US-7217729-B2 | Substituted indoles, process for the production thereof and use thereof for combatting pain | GRUNENTHAL GMBH (DE) | 2007-05-15 | — | — | US | disclosed |
| US-20040225003-A1 | 4,6-Dimethyl-3-{[3'-(N,N-dimethylaminomethyl)-4-hydroxy-4'-(3''-methoxyphenyl)-cyclohexylamino]-methyl}-1H-indole 2-carboxylic acid ethyl ester or other derivatives of substituted indoles; for treatment or prevention of neurodegenerative diseases, psychological disorders, AIDS, inflammation or allergies | GRUNENTHAL GMBH (DE) | 2004-11-11 | — | — | 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-20040225003-A1 | 4,6-Dimethyl-3-{[3'-(N,N-dimethylaminomethyl)-4-hydroxy-4'-(3''-methoxyphenyl)-cyclohexylamino]-methyl}-1H-indole 2-carboxylic acid ethyl ester or other derivatives of substituted indoles; for treatment or prevention of neurodegenerative diseases, psychological disorders, AIDS, inflammation or allergies | HNMT, HTR6, HTR3C | ALDH1A1 1253/4885HSD17B10 2171/4885GAA 1007/4885 |
“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.