Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | MAOB | P27338 | 3/20 | 0.49 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.49 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.49 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.49 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL675699 | 0.86 | KDM4E (0.50) | NPC1RAB9AMAPTCYP2D6CYP2C9 | |
| SCHEMBL10741205 | 0.85 | ABCG2 (0.50) | NPC1RAB9AMAPTMAOBTRPM8 | |
| SCHEMBL9852307 | 0.78 | CES2 (0.66) | NPC1RAB9AMAPTMAOBBCHE | |
| SCHEMBL28378054 | 0.77 | NPC1 (0.48) | NPC1RAB9AMAPTMAOBCYP2D6 | |
| SCHEMBL28378052 | 0.77 | NPC1 (0.48) | NPC1RAB9AMAPTMAOBCYP2D6 | |
| SCHEMBL3661438 | 0.76 | THRB (0.56) | MAPTTRPM8BCHECYP3A4NFKB1 | |
| SCHEMBL2801414 | 0.76 | THRB (0.56) | MAPTTRPM8BCHECYP3A4NFKB1 | |
| SCHEMBL11773155 | 0.75 | AKR1C3 (0.49) | NPC1RAB9AMAPTCYP2D6CYP2C19 | |
| SCHEMBL11773149 | 0.75 | AKR1C3 (0.49) | NPC1RAB9AMAPTCYP2D6CYP2C19 | |
| SCHEMBL7200630 | 0.75 | NPC1 (0.53) | NPC1RAB9AMAPTLMNAMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007115181-A9 | COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF | EASTMAN CHEM CO (US) | 2008-04-03 | — | — | WO | disclosed |
| WO-2007115181-A2 | COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF | EASTMAN CHEMICAL COMPANY (US) | 2007-10-11 | — | — | WO | disclosed |