Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER2 | P43116 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 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 | |
|---|---|---|---|---|
| SCHEMBL10006033 | 0.86 | PTGER2 (0.41) | PTGER2EPHX2EPHX1RAB9ASLC6A2 | |
| SCHEMBL10298928 | 0.83 | TSHR (0.46) | PTGER2RAB9ASLC6A2SMN1; SMN2NPC1 | |
| SCHEMBL9941228 | 0.79 | PTGER2 (0.44) | PTGER2EPHX2RAB9ASLC6A2NPC1 | |
| SCHEMBL10281189 | 0.77 | KDM1A (0.46) | — | |
| SCHEMBL10006223 | 0.76 | PTGER2 (0.40) | PTGER2NR1H4RAB9ASLC6A2SMN1; SMN2 | |
| SCHEMBL2090691 | 0.76 | NR1H4 (0.65) | EPHX2NR1H4RAB9ATRPV1PDK1 | |
| SCHEMBL19712567 | 0.71 | NR1H4 (0.49) | EPHX2EPHX1NR1H4RAB9ATRPV1 | |
| SCHEMBL10697564 | 0.70 | PTGER2 (0.40) | PTGER2SLC6A2GAA | |
| SCHEMBL10298882 | 0.69 | SLC6A3 (0.41) | SLC6A2MEN1KMT2ALMNA | |
| SCHEMBL9938540 | 0.68 | KIF11 (0.49) | EPHX2EPHX1NR1H4RAB9ASLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103354808-B | Antiviral compound | ABBVIE 公司 | 2016-08-10 | — | — | CN | disclosed |
| EP-2651885-A1 | ANTI-VIRAL COMPOUNDS | Abbvie Inc. (US) | 2013-10-23 | — | — | EP | disclosed |
| CN-103354808-A | Anti-viral compounds | ABBVIE INC | 2013-10-16 | — | — | CN | disclosed |
| WO-2012083170-A1 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2012-06-21 | — | — | WO | disclosed |