Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.51 |
| ▸ | CFTR | P13569 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 4/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.45 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL1338503 | 0.89 | ALDH1A1 (0.51) | ALDH1A1HSD17B10CFTRHPGDMAPT | |
| SCHEMBL7608793 | 0.84 | ALDH1A1 (0.53) | ALDH1A1HSD17B10CFTRHPGDMAPT | |
| SCHEMBL8075174 | 0.84 | ALDH1A1 (0.68) | ALDH1A1HSD17B10CFTRHPGDMAPT | |
| SCHEMBL7118214 | 0.83 | ALDH1A1 (0.54) | ALDH1A1HSD17B10CFTRHPGDMAPT | |
| SCHEMBL1364802 | 0.80 | CFTR (0.64) | ALDH1A1HSD17B10CFTRHPGDMAPT | |
| SCHEMBL2113045 | 0.80 | MEN1 (0.55) | ALDH1A1HSD17B10HPGDMAPTNPC1 | |
| SCHEMBL9119989 | 0.80 | CFTR (0.64) | ALDH1A1HSD17B10CFTRHPGDMAPT | |
| SCHEMBL5739859 | 0.79 | L3MBTL1 (0.56) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| Methyl 2,4-Dimethoxybenzoate SCHEMBL645462 | 0.78 | KMT2A (0.64) | ALDH1A1HSD17B10HPGDMAPTNPC1 | |
| SCHEMBL858839 | 0.77 | ALDH1A1 (0.66) | ALDH1A1HSD17B10CFTRHPGDMAPT |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1331937-B1 | DIBENZOXAZEPINE ALPHA V INTEGRIN RECEPTOR ANTAGONIST | MERCK & CO INC (US) | 2006-03-15 | — | — | EP | disclosed |
| US-6943156-B2 | Dibenzoxazepine αv integrin receptor antagonist | MERCK & CO., INC (US) | 2005-09-13 | — | — | US | disclosed |
| EP-1331937-A4 | DIBENZOXAZEPINE ALPHA V INTEGRIN RECEPTOR ANTAGONIST | MERCK & CO INC (US) | 2004-07-21 | — | — | EP | disclosed |
| US-20040019035-A1 | Dibenzoxazepine alpha v integrin receptor antagonist | MERCK & CO., INC. | 2004-01-29 | — | — | US | disclosed |
| EP-1331937-A2 | DIBENZOXAZEPINE ALPHA V INTEGRIN RECEPTOR ANTAGONIST | Merck & Co., Inc. (US) | 2003-08-06 | — | — | EP | disclosed |
| EP-1169042-A4 | DIBENZO-AZEPINE DERIVATIVES AS ALPHA V INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2003-05-02 | — | — | EP | disclosed |
| WO-2002040505-A2 | DIBENZOXAZEPINE ALPHA V INTEGRIN RECEPTOR ANTAGONIST | MERCK & CO., INC. (US) | 2002-05-23 | — | — | WO | disclosed |
| EP-1027337-A4 | INTEGRIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2002-04-03 | — | — | EP | disclosed |
| EP-1169042-A1 | DIBENZO-AZEPINE DERIVATIVES AS ALPHA V INTEGRIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2002-01-09 | — | — | EP | disclosed |
| WO-2000048603-A1 | DIBENZO-AZEPINE DERIVATIVES AS αV INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2000-08-24 | — | — | WO | disclosed |
| EP-1027337-A1 | INTEGRIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-08-16 | — | — | EP | disclosed |
| WO-1999011626-A1 | INTEGRIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-03-11 | — | — | 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-20040019035-A1 | Dibenzoxazepine alpha v integrin receptor antagonist | ITGAV, ITGB2, VCAM1 | ALDH1A1 1340/4885HSD17B10 2302/4885CFTR 3670/4885 |
“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.