Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL16378806 | 0.87 | NPC1 (0.52) | CNR1MAPTKMT2ANPC1RAB9A | |
| SCHEMBL14424475 | 0.82 | EPHX1 (0.64) | CNR1MAPTKMT2ANPC1RAB9A | |
| SCHEMBL16383170 | 0.80 | NPC1 (0.58) | CNR1MAPTKMT2ANPC1RAB9A | |
| SCHEMBL14423986 | 0.78 | MAPT (0.76) | CNR1MAPTKMT2ANPC1RAB9A | |
| SCHEMBL16383171 | 0.78 | HTT (0.56) | CNR1MAPTKMT2ANPC1RAB9A | |
| SCHEMBL15344285 | 0.77 | NAMPT (0.49) | HTTPOLBHDAC1HDAC2HDAC3 | |
| SCHEMBL12808474 | 0.77 | CNR1 (0.58) | CNR1MAPTKMT2ANPC1RAB9A | |
| SCHEMBL10802920 | 0.77 | CNR1 (0.63) | CNR1MAPTKMT2ANPC1RAB9A | |
| SCHEMBL12927922 | 0.76 | TSHR (0.55) | CNR1MAPTKMT2ANPC1RAB9A | |
| SCHEMBL9891657 | 0.75 | EPHX1 (0.50) | KMT2ARAB9AEPHX1SMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-8921426-B2 | Cationic bis-urea compounds as effective antimicrobial agents | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2014-12-30 | — | — | US | disclosed |