Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.40 |
| ▸ | SLC6A9 | P48067 | 3/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | SLC6A5 | Q9Y345 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7078797 | 0.82 | SIRT2 (0.40) | PTPN1PRSS1PRSS2PRSS3SMN1; SMN2 | |
| SCHEMBL7084804 | 0.80 | KDM4C (0.50) | CYP3A4HPGDKDM5AKDM4CKDM5B | |
| SCHEMBL7077297 | 0.79 | KDM4C (0.54) | PTPN1SMN1; SMN2KDM4EKDM5AKDM4C | |
| SCHEMBL7129471 | 0.79 | KMT2A (0.43) | LMNASMN1; SMN2MEN1MAPK1KMT2A | |
| SCHEMBL7079054 | 0.79 | ALDH1A1 (0.40) | SMN1; SMN2CYP3A4MAPTHPGDKMT2A | |
| SCHEMBL7081681 | 0.78 | CYP2E1 (0.48) | CYP3A4KDM5AKDM4CKDM5B | |
| SCHEMBL7130008 | 0.78 | KDM2B (0.42) | KDM4EKDM5AKDM4CKDM5B | |
| SCHEMBL7077389 | 0.78 | PTPN1 (0.43) | PTPN1PRSS1PRSS2PRSS3SMN1; SMN2 | |
| SCHEMBL7077747 | 0.77 | ACKR3 (0.36) | SLC6A9MEN1KMT2AACKR3 | |
| SCHEMBL7077275 | 0.77 | KDM2B (0.40) | MEN1KMT2ACA1CA2CA9 |
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 | PTPN1 2074/4885RIPK1 4322/4885PRSS1 129/4885 |
“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.