Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | TTK | P33981 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | RELA | Q04206 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16408323 | 0.89 | TTK (0.45) | SMN1; SMN2TP53TTKCNR1CNR2 | |
| SCHEMBL5098645 | 0.82 | TTK (0.54) | SMN1; SMN2TP53TTKCNR1CNR2 | |
| SCHEMBL10017298 | 0.79 | SMN1; SMN2 (0.49) | SMN1; SMN2TP53CNR1CNR2GPR55 | |
| SCHEMBL16408381 | 0.78 | ESR1 (0.37) | KDM4EALDH1A1HPGDMAPTPPARG | |
| SCHEMBL30662422 | 0.77 | SMN1; SMN2 (0.57) | SMN1; SMN2TP53TTKLMNAKDM4E | |
| SCHEMBL16408420 | 0.77 | TTK (0.39) | SMN1; SMN2TP53TTKCNR1CNR2 | |
| SCHEMBL25978134 | 0.77 | HSD17B1 (0.48) | KDM4EALDH1A1HPGDMAPTCYP19A1 | |
| SCHEMBL30963915 | 0.77 | TP53 (0.51) | SMN1; SMN2TP53KDM4EALDH1A1HPGD | |
| SCHEMBL1041432 | 0.76 | CYP1A2 (0.55) | RAB9AMAPTCYP11B1CYP11B2 | |
| SCHEMBL12227908 | 0.76 | MAPK1 (0.50) | KDM4EALDH1A1RELAMAPTHSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015009076-A1 | A COMBINATION OF A DOPANT COMPOUND AND A HOST COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2015-01-22 | — | — | WO | disclosed |