Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.56 |
| ▸ | CES1 | P23141 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8203529 | 0.80 | NPC1 (0.47) | CES2CES1NPC1RAB9AMEN1 | |
| SCHEMBL8215240 | 0.80 | CES2 (0.54) | CES2CES1MEN1KMT2APOLB | |
| SCHEMBL336773 | 0.75 | CES2 (0.65) | CES2CES1NPC1RAB9AMEN1 | |
| SCHEMBL69744 | 0.75 | CES2 (0.65) | CES2CES1NPC1RAB9AMEN1 | |
| SCHEMBL15301748 | 0.75 | CES2 (0.65) | CES2CES1NPC1RAB9AMEN1 | |
| SCHEMBL60996 | 0.75 | CES2 (0.65) | CES2CES1NPC1RAB9AMEN1 | |
| SCHEMBL69743 | 0.75 | CES2 (0.65) | CES2CES1NPC1RAB9AMEN1 | |
| SCHEMBL8213488 | 0.75 | CES2 (0.48) | CES2CES1NPC1RAB9AMEN1 | |
| SCHEMBL744661 | 0.74 | CES2 (0.63) | CES2CES1NPC1RAB9AMEN1 | |
| SCHEMBL16799032 | 0.74 | CES2 (0.47) | CES2CES1NPC1RAB9AMEN1 |
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-6057290-A | ADMINISTERING A CYSTEINE PROTEASE INHIBITOR TO A PATIENT FOR INHIBITING ANGIOGENESIS | SENJU PHARMACEUTICAL CO., LTD. (JP) | 2000-05-02 | — | — | US | disclosed |