Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Butyl Chloride SCHEMBL27485209 | 0.90 | KDM4E (0.56) | KDM4ELMNACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4899071 | 0.82 | MAPT (0.54) | KDM4ELMNACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4907895 | 0.80 | KDM4E (0.59) | KDM4ELMNACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL27678492 | 0.80 | MAPT (0.54) | KDM4ELMNACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11669834 | 0.78 | LMNA (0.57) | KDM4ELMNACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6648905 | 0.77 | KDM4E (0.55) | KDM4ELMNACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4908281 | 0.77 | MAPT (0.57) | KDM4ELMNACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4912548 | 0.77 | MAPT (0.48) | KDM4ELMNACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL5299480 | 0.76 | TLR8 (0.48) | KDM4ELMNAKMT2AALDH1A1POLB | |
| SCHEMBL27721562 | 0.75 | KMT2A (0.56) | KMT2AMAPTALDH1A1POLB |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101056631-A | Derivatives of aryl (or heteroaryl) azolylcarbinols (in particular cizolirtin citrate) for the treatment of opioid addiction | ESTEVE LABOR DR (ES) | 2007-10-17 | — | — | CN | claimed |
| CN-101031291-A | Compound containing methanol and composition containing at least one nsaid active substance | ESTEVE LABOR DR (ES) | 2007-09-05 | — | — | CN | claimed |
| CN-1976722-A | Active substance combination | ESTEVE LABOR DR (ES) | 2007-06-06 | — | — | CN | claimed |
| CN-1151789-C | Utilization of aryl (or heteroaryl) azolylcarbinol derivatives in prepn. of medicament for treating troubles mediated by excess of substance P | ��˹���IJ�ʿʵ���ҹɷ�����˾ | 2004-06-02 | — | — | CN | claimed |
| CN-1317966-A | Use of derivatives of aryl (or heteroaryl) pyrrolylcarbinol for the manufacture of a medicament for the treatment of diseases mediated by an excess of substance P | ESTEVE LABOR DR (ES) | 2001-10-17 | — | — | CN | claimed |
| CN-101056631-A | Derivatives of aryl (or heteroaryl) azolylcarbinols (in particular cizolirtin citrate) for the treatment of opioid addiction | ESTEVE LABOR DR (ES) | 2007-10-17 | — | — | CN | disclosed |
| CN-101031291-A | Compound containing methanol and composition containing at least one nsaid active substance | ESTEVE LABOR DR (ES) | 2007-09-05 | — | — | CN | disclosed |
| CN-1976722-A | Active substance combination | ESTEVE LABOR DR (ES) | 2007-06-06 | — | — | CN | disclosed |