Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.59 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.55 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.55 |
| ▸ | AGXT | P21549 | 1/20 | 0.50 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.50 |
| ▸ | GLS | O94925 | 2/20 | 0.49 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL631264 | 0.84 | CYP2A6 (0.61) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL29534459 | 0.84 | CYP2A6 (0.61) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL1029348 | 0.82 | CYP2A6 (0.59) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL11215245 | 0.82 | CYP2A6 (0.59) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL31356469 | 0.82 | CYP2A6 (0.59) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL6674653 | 0.81 | CYP2A6 (0.58) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL11221971 | 0.81 | CYP2A6 (0.58) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL29861035 | 0.79 | CYP2A6 (0.56) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL28666644 | 0.79 | CYP2A6 (0.56) | CYP2A6ASIC3LOXL2AGXTADRB2 | |
| SCHEMBL1177008 | 0.78 | CYP2A6 (0.58) | CYP2A6ASIC3LOXL2AGXTADRB2 |
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-0168222-A2 | 3-(Alkynylalkyloxy) Cephalosporins | ELI LILLY AND COMPANY (US) | 1986-01-15 | — | — | EP | claimed |
| US-4342869-A | Cephalosporin antibiotics | MERCK & CO., INC. (US) | 1982-08-03 | — | — | US | claimed |
| US-4338437-A | Cephalosporin antibiotics | MERCK & CO., INC. (US) | 1982-07-06 | — | — | US | claimed |
| US-4338438-A | Cephalosporin antibiotics | MERCK & CO., INC. (US) | 1982-07-06 | — | — | US | claimed |
| US-4297488-A | 7-α-Methoxy cephalosporins | MERCK & CO., INC. (US) | 1981-10-27 | — | — | US | claimed |
| US-8445509-B2 | Fused heterocyclic derivatives and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-05-21 | — | — | US | disclosed |
| US-8304557-B2 | Fused heterocycle derivatives and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-11-06 | — | — | US | disclosed |
| US-20110046169-A1 | FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-02-24 | — | — | US | disclosed |
| EP-2162445-A1 | HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2010-03-17 | — | — | EP | disclosed |
| WO-2009136663-A1 | FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-12 | — | — | WO | disclosed |
| US-20090163488-A1 | FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-06-25 | — | — | US | disclosed |
| WO-2008150015-A1 | HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-12-11 | — | — | 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 (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-20110046169-A1 | FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF | ABL1, MAP4K2, MAP3K20 | CYP2A6 4086/4885ASIC3 2776/4885LOXL2 4091/4885 |
| US-20090163488-A1 | FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF | NOX3, NOX5, ZYX | CYP2A6 2484/4885ASIC3 1169/4885LOXL2 2512/4885 |
“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.