Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28380032 | 0.68 | HDAC3 (0.36) | HSD11B1MAOAMAOBCES2CES1 | |
| SCHEMBL10067068 | 0.66 | CYP3A4 (0.36) | HSD11B1OPRL1OPRM1CYP3A4MEN1 | |
| SCHEMBL923461 | 0.64 | MAOA (0.48) | HSD11B1MAOAMAOBCES2CES1 | |
| Hydrochloric Acid SCHEMBL28727280 | 0.63 | MAOA (0.41) | MAOAMAOBCYP3A4 | |
| SCHEMBL23039225 | 0.61 | ELANE (0.40) | MAOAMAOBNPSR1 | |
| SCHEMBL4795297 | 0.61 | MAOA (0.40) | MAOAMAOBOPRL1OPRM1CYP3A4 | |
| SCHEMBL1919144 | 0.61 | SLC6A2 (0.56) | MAOAMAOBOPRM1MEN1KMT2A | |
| SCHEMBL3716772 | 0.61 | MAOA (0.45) | HSD11B1MAOAMAOBCES2CES1 | |
| SCHEMBL5818358 | 0.61 | AKR1C1 (0.47) | MAOAMAOBMEN1KMT2ALMNA | |
| SCHEMBL2573934 | 0.61 | MAOA (0.41) | HSD11B1MAOAMAOBCES2CES1 |
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-5512564-A | VIRICIDES, AIDS | BOEHRINGER MANNHEIM GMBH (DE) | 1996-04-30 | — | — | US | disclosed |