Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | GPR3 | P46089 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | NCF1 | P14598 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12390044 | 0.79 | CYP1A2 (0.41) | CYP1A2HPGDHSD17B10LMNAGPR3 | |
| SCHEMBL2600753 | 0.79 | CYP1A2 (0.60) | CYP1A2HPGDLMNATP53TSHR | |
| SCHEMBL23877259 | 0.78 | MYC (0.44) | CYP1A2HPGDTSHRGPR3BACE1 | |
| SCHEMBL25519327 | 0.78 | NCF1 (0.59) | CYP1A2HPGDHSD17B10LMNATP53 | |
| SCHEMBL4834584 | 0.78 | MAOA (0.45) | CYP1A2HSD17B10TP53GPR3BACE1 | |
| SCHEMBL3969713 | 0.77 | LMNA (0.41) | CYP1A2HPGDLMNAHTTGPR3 | |
| SCHEMBL3966410 | 0.76 | ADAM17 (0.40) | CYP1A2HPGDLMNATSHRHTT | |
| SCHEMBL21027636 | 0.76 | TNKS2 (0.44) | CYP1A2HPGDLMNATP53HTT | |
| SCHEMBL1102413 | 0.76 | ACACA (0.50) | HPGDUSP2MAPTKDM4EALDH1A1 | |
| SCHEMBL3969717 | 0.75 | LMNA (0.58) | HPGDLMNAHTTPOLBMAPT |
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 9 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-7015217-B2 | Cyclic sulfone derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-03-21 | — | — | US | disclosed |
| US-6962938-B2 | Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2005-11-08 | — | — | US | disclosed |
| US-6720329-B2 | ANTIINFLAMMATORY AGENTS | BRISTOL-MYERS SQUIBB PHARMA | 2004-04-13 | — | — | 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-2003040103-A1 | β-SULFONE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-05-15 | — | — | 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 | CYP1A2 1247/4885HPGD 478/4885HSD17B10 1562/4885 |
“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.