Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 5/20 | 0.35 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.34 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.34 |
| ▸ | FLT1 | P17948 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7078633 | 0.82 | KMT2A (0.43) | PI4KBKAT6AJAK2JAK3LMNA | |
| SCHEMBL7079537 | 0.79 | CTNNB1 (0.41) | PI4KBKAT6AJAK2JAK3LMNA | |
| SCHEMBL7082284 | 0.76 | HDAC1 (0.48) | HDAC1HDAC6KLKB1FLT1KDR | |
| SCHEMBL7077224 | 0.75 | KLKB1 (0.35) | KLKB1PI4KBKAT6AJAK2JAK3 | |
| SCHEMBL7077265 | 0.74 | KAT6A (0.39) | PI4KBKAT6AJAK2JAK3LMNA | |
| SCHEMBL7081867 | 0.73 | HCRTR1 (0.40) | PI4KBKAT6AJAK2JAK3LMNA | |
| SCHEMBL7078767 | 0.72 | HDAC1 (0.43) | HDAC1HDAC6KLKB1CYP19A1ALOX15 | |
| SCHEMBL7077756 | 0.70 | F2RL1 (0.38) | PI4KBKAT6AJAK2JAK3LMNA | |
| SCHEMBL7077761 | 0.70 | HDAC1 (0.49) | HDAC1HDAC6FLT1KDRCYP19A1 | |
| SCHEMBL7078642 | 0.69 | HDAC1 (0.55) | HDAC1HDAC6FLT1KDRCYP19A1 |
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 8 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 | claimed |
| 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 | claimed |
| 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 | claimed |
| 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 | claimed |
| 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 | HDAC1 731/4885HDAC6 4113/4885KLKB1 3198/4885 |
“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.