Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.54 |
| ▸ | RAB9A | P51151 | 9/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 6/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 6/20 | 0.54 |
| ▸ | RELA | Q04206 | 6/20 | 0.54 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.50 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 10/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 5/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17125514 | 0.83 | NPC1 (0.52) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL17125545 | 0.80 | NR1H4 (0.70) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL17125512 | 0.78 | NOTUM (0.55) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL22205288 | 0.75 | NPC1 (0.65) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL2813678 | 0.75 | NPC1 (0.71) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL5112255 | 0.75 | NPC1 (0.68) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL13134570 | 0.75 | NPC1 (0.71) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL2306468 | 0.75 | NPC1 (0.70) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL13134527 | 0.74 | NPC1 (0.68) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL13134576 | 0.74 | NPC1 (0.68) | NPC1RAB9ANFKB1NFKB2RELA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10240084-B2 | Non-crystallizable pi-conjugated molecular glass mixtures, charge transporting molecular glass mixtures, luminescent molecular glass mixtures, or combinations thereof for organic light emitting diodes and other organic electronics and photonics applications | MOLECULAR GLASSES, INC. (US) | 2019-03-26 | — | — | US | disclosed |
| US-20150275076-A1 | Non-crystallizable Pi-conjugated Molecular Glass Mixtures, Charge Transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications | Molaire Consulting | 2015-10-01 | — | — | US | disclosed |
| US-20150275076-A1 | Non-crystallizable Pi-conjugated Molecular Glass Mixtures, Charge Transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications | Molaire Consulting | 2015-10-01 | — | — | US | disclosed |