Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.43 |
| ▸ | RELA | Q04206 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 2/20 | 0.42 |
| ▸ | RXRB | P28702 | 2/20 | 0.42 |
| ▸ | GRM5 | P41594 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CCR1 | P32246 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.41 |
| ▸ | CCR8 | P51685 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL14886517 | 0.87 | CYP3A4 (0.43) | NPC1RAB9ASMN1; SMN2GRM5CYP19A1 | |
| SCHEMBL1369270 | 0.83 | CYP1A2 (0.46) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL27879319 | 0.83 | CYP3A4 (0.47) | RXRARXRBGRM5CYP19A1CCR1 | |
| SCHEMBL20081661 | 0.82 | CYP1A2 (0.60) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL31576795 | 0.82 | CYP1A2 (0.60) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL24780597 | 0.82 | CYP1A2 (0.60) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL1959308 | 0.82 | CYP1A2 (0.60) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL18327310 | 0.82 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL30958697 | 0.82 | LMNA (0.48) | NPC1RAB9ASMN1; SMN2CYP1A2RXRA | |
| SCHEMBL24403826 | 0.82 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105531278-A | Compound, material for organic electroluminescent element, and electronic device | IDEMITSU KOSAN CO | 2016-04-27 | — | — | CN | disclosed |
| CN-105143398-A | Light-emitting material for organic optoelectronic element, organic optoelectronic element, and display device | CHEIL IND INC | 2015-12-09 | — | — | CN | disclosed |
| CN-105073718-A | Organic compound, organic optoelectronic element, and display device | CHEIL IND INC | 2015-11-18 | — | — | CN | disclosed |