Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5405524 | 0.82 | CYP1A2 (0.46) | CYP1A2KMT2ANCF1 | |
| SCHEMBL3967741 | 0.81 | ERBB2 (0.40) | CYP1A2ERBB2SMN1; SMN2MEN1KMT2A | |
| SCHEMBL4048580 | 0.77 | CYP1A2 (0.41) | CYP1A2ERBB2SMN1; SMN2MEN1KMT2A | |
| SCHEMBL14207388 | 0.77 | NPC1 (0.67) | NPC1HSP90AA1CYP2A6HDAC3HDAC4 | |
| SCHEMBL3964970 | 0.73 | CYP1A2 (0.51) | CYP1A2SMN1; SMN2KDM4EALDH1A1NCF1 | |
| SCHEMBL3969618 | 0.72 | NCF1 (0.49) | NPC1CYP1A2SMN1; SMN2MEN1KMT2A | |
| SCHEMBL3969617 | 0.72 | CYP1A2 (0.41) | CYP1A2SMN1; SMN2MEN1KMT2AKDM4E | |
| SCHEMBL6598929 | 0.72 | PPARG (0.49) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL9287208 | 0.71 | CYP2A6 (0.62) | NPC1HSP90AA1CYP2A6HDAC3HDAC4 | |
| SCHEMBL29957308 | 0.71 | CYP2A6 (0.62) | NPC1HSP90AA1CYP2A6HDAC3HDAC4 |
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-20070167451-A1 | BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES | DUAN JINGWU | 2007-07-19 | — | — | US | disclosed |
| CN-1481377-A | Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteinases and TNF-alpha | ����˹�ж�-����˹˹����ҩƷ��˾ | 2004-03-10 | — | — | CN | disclosed |
| CN-1420881-A | Beta-amino acid derivs. as inhibitors of matrix metalloproteases and TNF-alpha | BRISTOL MYERS SQUIBB PHARMACEU (US) | 2003-05-28 | — | — | CN | 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 | NPC1 2541/4885HSP90AA1 2427/4885CYP2A6 953/4885 |
“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.