Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.51 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | AR | P10275 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL311156 | 0.79 | CYP2E1 (0.65) | CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL27784722 | 0.76 | NPC1 (0.55) | CYP2C9CYP2C19CYP1A2ALDH1A1AR | |
| SCHEMBL1411712 | 0.75 | TDP2 (0.43) | CYP2C9CYP2C19CYP1A2ALDH1A1AR | |
| SCHEMBL27910997 | 0.75 | CHRNA7 (0.49) | CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL18806853 | 0.74 | CYP2C9 (0.57) | CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL26914654 | 0.74 | RAB9A (0.43) | CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL8250569 | 0.73 | LRRK2 (0.59) | CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL11978725 | 0.73 | CTRC (0.61) | CYP2C9CYP2C19CYP2A6CYP1A2ALDH1A1 | |
| SCHEMBL4540057 | 0.73 | CYP2E1 (0.49) | CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL12427182 | 0.73 | NPC1 (0.49) | CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7838545-B2 | 4-(condensed cyclicmethyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists | ALLERGAN, INC. (US) | 2010-11-23 | — | — | US | disclosed |
| US-20090176828-A1 | 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS | ALLERGAN, INC. (US) | 2009-07-09 | — | — | US | disclosed |
| US-7396849-B2 | 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as α2 adrenergic agonists | ALLERGAN, INC. (US) | 2008-07-08 | — | — | US | disclosed |
| EP-1791833-A2 | 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS | Allergan, Inc. (US) | 2007-06-06 | — | — | EP | disclosed |
| WO-2006036497-A2 | 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS | ALLERGAN, INC. (US) | 2006-04-06 | — | — | WO | disclosed |
| US-20060069144-A1 | 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists | ALLERGAN, INC. | 2006-03-30 | — | — | US | 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-20060069144-A1 | 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists | ADRB2, ADRA2C, ADRA2A | CYP2C9 1227/4885CYP2C19 1064/4885CYP2E1 587/4885 |
| US-20090176828-A1 | 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS | ADRB2, ADRA2C, ADRA2A | CYP2C9 921/4885CYP2C19 732/4885CYP2E1 305/4885 |
“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.