Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | APP | P05067 | 2/20 | 0.40 |
| ▸ | AGXT | P21549 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9396821 | 0.78 | CYP2A6 (0.44) | CYP2A6ADRB2ASIC3LOXL2MGLL | |
| SCHEMBL6539418 | 0.75 | BCL2L1 (0.48) | CYP2A6ADRB2ASIC3LOXL2MGLL | |
| SCHEMBL10514091 | 0.74 | CYP2A6 (0.53) | CYP2A6ADRB2ASIC3LOXL2MGLL | |
| SCHEMBL29610590 | 0.74 | CYP2A6 (0.40) | CYP2A6ADRB2ASIC3LOXL2MGLL | |
| SCHEMBL4912489 | 0.74 | CYP2A6 (0.44) | CYP2A6ADRB2ASIC3LOXL2MGLL | |
| SCHEMBL9811930 | 0.74 | CYP2A6 (0.40) | CYP2A6ADRB2ASIC3LOXL2MGLL | |
| SCHEMBL1259272 | 0.71 | SLC9A1 (0.53) | CYP2A6ASIC3LOXL2MGLLBCL2L1 | |
| SCHEMBL12417 | 0.70 | ALDH1A1 (0.52) | CYP2A6ADRB2ASIC3LOXL2MGLL | |
| SCHEMBL845603 | 0.69 | APP (0.63) | CYP2A6ADRB2ASIC3LOXL2MGLL | |
| SCHEMBL29732980 | 0.69 | APP (0.63) | CYP2A6ADRB2ASIC3LOXL2MGLL |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2086925-B1 | 1,4 DIAMINO BICYCLIC RETIGABINE ANALOGUES AS POTASSIUM CHANNEL MODULATORS | VALEANT PHARMACEUTICALS INT (US) | 2011-12-21 | — | — | EP | disclosed |
| US-8030518-B2 | E.g., N-(5-(4-fluorophenylamino)-1,3-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3,3-dimethylbutanamide; treating or preventing neuropathic and chronic pain, bipolar disorder, migraine, epilepsy, a seizure or a disorder characterized by a seizure | VALEANT PHARMACEUTICALS INTERNATIONAL (US) | 2011-10-04 | — | — | US | disclosed |
| EP-2086925-A1 | 1,4 DIAMINO BICYCLIC RETIGABINE ANALOGUES AS POTASSIUM CHANNEL MODULATORS | Valeant Pharmaceuticals International (US) | 2009-08-12 | — | — | EP | disclosed |
| US-20080234334-A1 | 1,4 DIAMINO BICYCLIC RETIGABINE ANALOGUES AS POTASSIUM CHANNEL MODULATORS | VALEANT PHARMACEUTICALS INTERNATIONAL (US) | 2008-09-25 | — | — | US | disclosed |
| WO-2008066900-A1 | 1,4 DIAMINO BICYCLIC RETIGABINE ANALOGUES AS POTASSIUM CHANNEL MODULATORS | VALEANT PHARMACEUTICALS INTERNATIONAL (US) | 2008-06-05 | — | — | 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-20080234334-A1 | 1,4 DIAMINO BICYCLIC RETIGABINE ANALOGUES AS POTASSIUM CHANNEL MODULATORS | KCNB2, KCNB1, KCNA1 | CYP2A6 1325/4885ADRB2 798/4885ASIC3 363/4885 |
“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.