Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | FNTA | P49354 | 1/20 | 0.35 |
| ▸ | FNTB | P49356 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8668128 | 0.83 | CES1 (0.44) | CES1CES2AKR1B1BTN3A1MEN1 | |
| SCHEMBL11277665 | 0.76 | CES1 (0.46) | CES1CES2AKR1B1BTN3A1MEN1 | |
| SCHEMBL9631890 | 0.76 | MAOB (0.50) | CES1CES2AKR1B1BTN3A1MEN1 | |
| SCHEMBL516676 | 0.74 | CES1 (0.44) | CES1CES2AKR1B1BTN3A1MEN1 | |
| SCHEMBL11795616 | 0.73 | MEN1 (0.47) | MEN1KMT2AMAPK1EPHX2 | |
| Bromide SCHEMBL11619427 | 0.72 | CES1 (0.43) | CES1CES2AKR1B1BTN3A1MEN1 | |
| SCHEMBL5676720 | 0.72 | CES2 (0.39) | CES1CES2AKR1B1BTN3A1MEN1 | |
| SCHEMBL4246908 | 0.72 | ALDH1A1 (0.44) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL433490 | 0.70 | CES1 (0.44) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL7736497 | 0.70 | SIGMAR1 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | disclosed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | disclosed |