Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MGAM | O43451 | 6/20 | 0.38 |
| ▸ | GAA | P10253 | 6/20 | 0.38 |
| ▸ | SI | P14410 | 6/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 6/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3962251 | 0.79 | ALOX15 (0.37) | PARP1ALDH1A1CYP2D6CYP2C19MGAM | |
| SCHEMBL20936149 | 0.79 | PARP1 (0.56) | PARP1ALDH1A1DRD2DRD4DRD3 | |
| SCHEMBL353891 | 0.79 | PARP1 (0.56) | PARP1MGAMGAASIMGAM2 | |
| Bromide SCHEMBL5318091 | 0.78 | PARP1 (0.55) | PARP1MGAMGAASIMGAM2 | |
| SCHEMBL1902643 | 0.76 | PARP1 (0.53) | PARP1ALDH1A1DRD2DRD4DRD3 | |
| SCHEMBL979914 | 0.76 | NUDT1 (0.51) | ALDH1A1GAA | |
| SCHEMBL3973619 | 0.76 | NPC1 (0.50) | PARP1ALDH1A1ADORA3HTTKDM4E | |
| SCHEMBL1013125 | 0.76 | PARP1 (0.59) | PARP1ALDH1A1DRD2DRD4DRD3 | |
| SCHEMBL29438962 | 0.76 | PARP1 (0.53) | PARP1ALDH1A1DRD2DRD4DRD3 | |
| SCHEMBL1701339 | 0.76 | PARP1 (0.53) | PARP1ALDH1A1DRD2DRD4DRD3 |
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 6 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 |
| US-6884806-B2 | Bicyclic lactam derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-04-26 | — | — | 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 |
| WO-2003031431-A1 | CYCLIC SULFONE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$G(A) CONVERTING ENZYME (TACE) | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-04-17 | — | — | 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 | PARP1 399/4885ALDH1A1 839/4885DRD2 3574/4885 |
“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.