Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 8/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 8/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9835835 | 0.79 | NR1H2 (0.56) | LMNANR1H2NR1H3KDM4EALDH1A1 | |
| SCHEMBL7489174 | 0.76 | NR1H2 (0.40) | LMNANR1H2NR1H3MAPTHTT | |
| SCHEMBL5073360 | 0.74 | NR1H2 (0.57) | NR1H2NR1H3ALDH1A1NPSR1 | |
| SCHEMBL9836829 | 0.74 | NPC1 (0.49) | NR1H2NR1H3ALDH1A1MAPTLCK | |
| SCHEMBL14031421 | 0.71 | ALDH1A1 (0.36) | LMNANR1H2NR1H3KDM4EALDH1A1 | |
| SCHEMBL10757746 | 0.71 | CASP3 (0.53) | LMNANR1H2NR1H3KDM4EHSD17B10 | |
| SCHEMBL9835833 | 0.71 | LMNA (0.40) | LMNANR1H2NR1H3KDM4EMAPT | |
| SCHEMBL9838114 | 0.71 | PIN1 (0.54) | HSD17B10ALDH1A1MAPTHTTNPSR1 | |
| SCHEMBL10441170 | 0.71 | ALDH1A1 (0.50) | ALDH1A1MAPTHPGD | |
| SCHEMBL7496165 | 0.70 | KDM4E (0.53) | LMNANR1H2NR1H3KDM4EALDH1A1 |
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-0811625-B1 | Process for preparing diketopyrrolopyrrole derivatives | CIBA SC HOLDING AG (CH) | 2002-04-17 | — | — | EP | disclosed |
| US-5919945-A | REACTING A 1,4-DIKETOPYRROLOPYRROLE WITH FORMALDEHYDE | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 1999-07-06 | — | — | US | disclosed |
| US-5840907-A | REACTING 1,4-DIKETO-3,6-DIARYLPYRROLOPYRROLE WITH FORMALDEHYDE TO FORM HYDROXYMETHYLATED DERIVATIVE, REACTING WITH PRECURSOR OF ORGANIC RADICAL TO REPLACE HYDROXYL GROUPS OR FORM ETHER LINKAGE | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 1998-11-24 | — | — | US | disclosed |
| EP-0811625-A2 | Process for preparing diketopyrrolopyrrole derivatives | Ciba SC Holding AG (CH) | 1997-12-10 | — | — | EP | disclosed |