Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL13562464 | 0.86 | HTR2B (0.46) | HTR2BCYP2D6HRH1ALDH1A1RAB9A | |
| SCHEMBL7082280 | 0.81 | LMNA (0.49) | HTR2BALDH1A1LNPEPKMT2A | |
| SCHEMBL7079566 | 0.78 | MEN1 (0.40) | HTR2BCYP2D6ALDH1A1L3MBTL1CALM1 | |
| SCHEMBL22957984 | 0.77 | LTA4H (0.40) | HTR2BCYP2D6HRH1CALM1CYP3A4 | |
| SCHEMBL7077360 | 0.75 | ALDH1A1 (0.42) | ALDH1A1RAB9ASMN1; SMN2TDP1L3MBTL1 | |
| SCHEMBL27072915 | 0.75 | CALM1 (0.55) | HTR2BALDH1A1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL6481288 | 0.73 | CALM1 (0.60) | ALDH1A1TDP1CALM1LTA4HTSHR | |
| SCHEMBL12150537 | 0.72 | TP53 (0.50) | ALDH1A1CALM1CYP1A2LTA4HTSHR | |
| SCHEMBL19034706 | 0.70 | CYP1A2 (0.46) | CYP2D6TDP1L3MBTL1CYP1A2CLK4 | |
| SCHEMBL18763010 | 0.70 | TP53 (0.46) | HTR2BALDH1A1RAB9ASMN1; SMN2TDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030229079-A1 | 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof | PAYNE LINDA S (US) | 2003-12-11 | — | — | US | disclosed |
| EP-1196384-A4 | 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF | MERCK & CO INC (US) | 2002-10-23 | — | — | EP | disclosed |
| EP-1196384-A1 | 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF | Merck & Co., Inc. (US) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001000578-A1 | 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF | MERCK & CO., INC. (US) | 2001-01-04 | — | — | 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-20030229079-A1 | 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof | CYP2S1, IMPDH1, IDO1 | HTR2B 3848/4885CYP2D6 501/4885HRH1 326/4885 |
“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.