Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | HRH1 | P35367 | 9/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | JAK1 | P23458 | 1/20 | 0.46 |
| ▸ | TYK2 | P29597 | 1/20 | 0.46 |
| ▸ | JAK3 | P52333 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3969006 | 0.94 | USP2 (0.61) | ALDH1A1GAAUSP2POLBHRH1 | |
| SCHEMBL7253536 | 0.83 | ALDH1A1 (0.65) | ALDH1A1GAAUSP2POLBHRH1 | |
| SCHEMBL31596383 | 0.81 | USP2 (0.66) | ALDH1A1GAAUSP2POLBHRH1 | |
| SCHEMBL31596378 | 0.81 | ALDH1A1 (0.58) | ALDH1A1GAAUSP2POLBHRH1 | |
| SCHEMBL31596376 | 0.80 | ALDH1A1 (0.57) | ALDH1A1GAAUSP2POLBHRH1 | |
| SCHEMBL12950771 | 0.78 | HRH1 (0.61) | ALDH1A1GAAUSP2POLBHRH1 | |
| SCHEMBL12950772 | 0.78 | HRH1 (0.58) | ALDH1A1GAAUSP2POLBHRH1 | |
| SCHEMBL24142608 | 0.77 | HRH1 (0.76) | ALDH1A1GAAUSP2POLBHRH1 | |
| SCHEMBL20715330 | 0.77 | NPC1 (0.67) | ALDH1A1GAACYP2D6NOS3NOS1 | |
| SCHEMBL24142446 | 0.77 | ALDH1A1 (0.58) | ALDH1A1GAAUSP2POLBHRH1 |
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-7595317-B2 | Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-09-29 | — | — | US | disclosed |
| US-7294624-B2 | Osteoporosis; antiarthritic agents | BRISTOL MYERS SQUIBB COMPANY (US) | 2007-11-13 | — | — | US | disclosed |
| US-20070167451-A1 | BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES | DUAN JINGWU | 2007-07-19 | — | — | US | disclosed |
| WO-2003053941-A2 | BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-07-03 | — | — | 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-20070167451-A1 | BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES | TNF, MMP9, MMP3 | ALDH1A1 839/4885GAA 62/4885USP2 567/4885 |
“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.