Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.45 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL41372 | 0.83 | ALDH1A1 (0.82) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL8071225 | 0.82 | PSIP1 (0.56) | ALDH1A1KMT2ASMN1; SMN2MEN1MAPT | |
| SCHEMBL1582969 | 0.79 | ALDH1A1 (0.91) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL1820762 | 0.79 | ALDH1A1 (1.00) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL5463183 | 0.77 | ALDH1A1 (0.87) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL8742947 | 0.77 | ALDH1A1 (0.72) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL4001371 | 0.77 | ALDH1A1 (0.87) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL8970657 | 0.77 | ALDH1A1 (0.87) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL8971703 | 0.77 | ALDH1A1 (0.87) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL8971430 | 0.77 | ALDH1A1 (0.87) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6774126-B2 | Pyrrolo[1,2-b][1,2,4]oxadiazine diones useful as nitric oxide synthase inhibitors | PHARMACIA CORPORATION | 2004-08-10 | — | — | US | disclosed |
| US-20040019019-A1 | Pyrrolo[1,2-b][1,2,4]oxadiazine diones useful as nitric oxide synthase inhibitors | PHARMACIA CORPORATION | 2004-01-29 | — | — | US | disclosed |
| US-6552052-B2 | (2S,3Z)-2-amino-5-(6,7,8,9-tetrahydro-3-oxo-3H,5H -(1,2,4)oxadiazolo(4,3-a)azepin-5-yl)-3-pentenoic acid, for example | MONSANTO/G.D. SEARLE | 2003-04-22 | — | — | US | disclosed |
| US-6489323-B1 | INHIBITING NO PRODUCTION FROM L-ARGININE, AS SEEN IN DISEASE STATES SUCH AS ARTHRITIS AND SYSTEMIC HYPOTENSION ASSOCIATED WITH SEPTIC AND/OR TOXIC SHOCK | G.D. SEARLE & CO. | 2002-12-03 | — | — | US | disclosed |
| US-20010044539-A1 | Heterobicyclic and tricyclic nitric oxide synthase inhibitors | HANSEN DONALD W (US) | 2001-11-22 | — | — | US | disclosed |
| EP-1086108-A1 | HETEROBICYCLIC AND TRICYCLIC NITRIC OXIDE SYNTHASE INHIBITORS | G.D. Searle & Co. (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999064426-A1 | HETEROBICYCLIC AND TRICYCLIC NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1999-12-16 | — | — | 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 (2 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-20010044539-A1 | Heterobicyclic and tricyclic nitric oxide synthase inhibitors | NOS1, NOS2, NOS3 | ALDH1A1 1337/4885CYP2C19 54/4885CYP3A4 78/4885 |
| US-20040019019-A1 | Pyrrolo[1,2-b][1,2,4]oxadiazine diones useful as nitric oxide synthase inhibitors | NOS1, NOS2, NOS3 | ALDH1A1 358/4885CYP2C19 277/4885CYP3A4 280/4885 |
“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.