Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Allobarbital. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP8 known ✓ | P22894 | 2/20 | 0.33 |
| ▸ | MMP13 known ✓ | P45452 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | MMP9 | P14780 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CPT1A | P50416 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MMP2 | P08253 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Allobarbital SCHEMBL35976 | 0.89 | LMNA (0.48) | LMNAMMP9TP53CPT1AALDH1A1 | |
| Allobarbital SCHEMBL11484021 | 0.87 | LMNA (0.46) | LMNAMMP9TP53CPT1AALDH1A1 | |
| Etallobarbital SCHEMBL713588 | 0.86 | LMNA (0.64) | LMNAMMP9TP53CPT1AALDH1A1 | |
| Allobarbital SCHEMBL10817112 | 0.84 | MMP9 (0.41) | LMNAMMP9TP53 | |
| SCHEMBL7646655 | 0.83 | MMP9 (0.41) | LMNAMMP9TP53 | |
| SCHEMBL7640790 | 0.83 | MMP9 (0.39) | LMNAMMP9TP53 | |
| SCHEMBL7640794 | 0.83 | MMP9 (0.39) | LMNAMMP9TP53 | |
| SCHEMBL2048015 | 0.81 | MMP9 (0.42) | LMNAMMP9TP53 | |
| SCHEMBL2048014 | 0.81 | MMP9 (0.42) | LMNAMMP9TP53 | |
| SCHEMBL3504596 | 0.79 | MMP9 (0.49) | LMNAMMP9TP53CPT1AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3093003-A1 | TWO-PART HAIR DYE | KAO CORPORATION (JP) | 2016-11-16 | — | — | EP | disclosed |
| EP-2204160-B1 | TWO-PART HAIR DYE | KAO CORP (JP) | 2016-07-27 | — | — | EP | disclosed |
| US-8021439-B2 | Two-part hair dye | KAO CORPORATION (JP) | 2011-09-20 | — | — | US | disclosed |
| US-20110186071-A1 | TWO-PART HAIR DYE | KAO CORPORATION (JP) | 2011-08-04 | — | — | US | disclosed |
| US-7938864-B2 | Two-part hair dye | KAO CORPORATION (JP) | 2011-05-10 | — | — | US | disclosed |
| US-20100257677-A1 | TWO-PART HAIR DYE | KAO CORPORATION (JP) | 2010-10-14 | — | — | US | disclosed |
| EP-2204160-A1 | TWO-PART HAIR DYE | Kao Corporation (JP) | 2010-07-07 | — | — | EP | 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-20100257677-A1 | TWO-PART HAIR DYE | FABP4, FAAH2, ANXA2 | MMP8 1171/4885MMP13 849/4885LMNA 1979/4885 |
| US-20110186071-A1 | TWO-PART HAIR DYE | FABP4, FAAH2, ANXA2 | MMP8 1171/4885MMP13 849/4885LMNA 1979/4885 |
“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.