Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 7/20 | 0.53 |
| ▸ | MAOA | P21397 | 6/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | AR | P10275 | 2/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.46 |
| ▸ | THRA | P10827 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8386311 | 1.00 | KDM4E (0.54) | KDM4EALDH1A1NPC1CYP1A2CYP2C9 | |
| SCHEMBL2984524 | 1.00 | KDM4E (0.54) | KDM4EALDH1A1NPC1CYP1A2CYP2C9 | |
| SCHEMBL2979985 | 1.00 | KDM4E (0.54) | KDM4EALDH1A1NPC1CYP1A2CYP2C9 | |
| SCHEMBL7846740 | 1.00 | KDM4E (0.54) | KDM4EALDH1A1NPC1CYP1A2CYP2C9 | |
| SCHEMBL5694453 | 0.98 | KDM4E (0.56) | KDM4EALDH1A1NPC1CYP1A2CYP2C9 | |
| SCHEMBL9097861 | 0.95 | TSHR (0.59) | KDM4EALDH1A1NPC1CYP1A2CYP2C9 | |
| SCHEMBL7065085 | 0.93 | KDM4E (0.57) | KDM4EALDH1A1NPC1CYP1A2CYP2C9 | |
| SCHEMBL17608773 | 0.89 | KDM4E (0.49) | KDM4EALDH1A1NPC1CYP1A2CYP2C9 | |
| SCHEMBL23335180 | 0.88 | KDM4E (0.53) | KDM4EALDH1A1NPC1CYP1A2CYP2C9 | |
| SCHEMBL15613561 | 0.85 | MAOB (0.56) | KDM4EALDH1A1NPC1CYP1A2CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0944632-B1 | LIQUID CRYSTALLINE DIKETOPYRROLOPYRROLES | CIBA SC HOLDING AG (CH) | 2001-02-14 | — | — | EP | disclosed |
| US-5969154-A | COLORED LIQUID CRYSTALLINE PHASES | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 1999-10-19 | — | — | US | disclosed |
| EP-0944632-A1 | LIQUID CRYSTALLINE DIKETOPYRROLOPYRROLES | Ciba SC Holding AG (CH) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998025927-A1 | LIQUID CRYSTALLINE DIKETOPYRROLOPYRROLES | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 1998-06-18 | — | — | WO | disclosed |