Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 3/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27207712 | 0.88 | S1PR1 (0.55) | S1PR1PTPN1ATMCYP2C9UGT1A1 | |
| SCHEMBL3972689 | 0.86 | S1PR1 (0.54) | S1PR1PTPN1ATMCYP2C9UGT1A1 | |
| SCHEMBL12922857 | 0.85 | S1PR1 (0.53) | S1PR1PTPN1ATMCYP2C9UGT1A1 | |
| SCHEMBL3969595 | 0.84 | S1PR1 (0.52) | S1PR1PTPN1ATMCYP2C9UGT1A1 | |
| SCHEMBL3975059 | 0.82 | S1PR1 (0.53) | S1PR1PTPN1ATMCYP2C9UGT1A1 | |
| SCHEMBL3975065 | 0.82 | S1PR1 (0.53) | S1PR1PTPN1ATMCYP2C9UGT1A1 | |
| SCHEMBL12922849 | 0.80 | S1PR1 (0.47) | S1PR1PTPN1ATMCYP2C9UGT1A1 | |
| SCHEMBL739263 | 0.80 | S1PR1 (0.57) | S1PR1PTPN1CYP2C9UGT1A1P2RX3 | |
| SCHEMBL12922854 | 0.79 | CYP2A6 (0.47) | S1PR1PTPN1ATMCYP2C9UGT1A1 | |
| SCHEMBL3969735 | 0.77 | CA12 (0.39) | S1PR1PTPN1CYP2C9NPC1MAOB |
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 2 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-20070167451-A1 | BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES | DUAN JINGWU | 2007-07-19 | — | — | US | 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 | S1PR1 1181/4885PTPN1 3006/4885ATM 3136/4885 |
“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.