Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.45 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5905810 | 0.81 | NPC1 (0.44) | NPC1TDP1SIGMAR1HSD11B1KMT2A | |
| SCHEMBL7726502 | 0.80 | NPC1 (0.60) | NPC1TDP1SIGMAR1FKBP1APOLB | |
| SCHEMBL1838692 | 0.79 | NPC1 (0.73) | NPC1TDP1FKBP1AKMT2AMEN1 | |
| SCHEMBL8371372 | 0.78 | SIGMAR1 (0.49) | NPC1TDP1SIGMAR1HSD11B1KMT2A | |
| Hydrochloric Acid SCHEMBL3086821 | 0.78 | NPC1 (0.71) | NPC1TDP1FKBP1AKMT2AMEN1 | |
| SCHEMBL92506 | 0.77 | L3MBTL1 (0.63) | SIGMAR1HSD11B1POLBL3MBTL1TSHR | |
| SCHEMBL5905806 | 0.76 | SIGMAR1 (0.51) | TDP1SIGMAR1KMT2AMEN1POLB | |
| Hydrochloric Acid SCHEMBL20337874 | 0.76 | L3MBTL1 (0.61) | SIGMAR1HSD11B1KMT2AMEN1POLB | |
| SCHEMBL9090627 | 0.76 | L3MBTL1 (0.61) | SIGMAR1HSD11B1POLBL3MBTL1TSHR | |
| Methyl Alcohol SCHEMBL10623350 | 0.74 | HSD11B1 (0.64) | SIGMAR1HSD11B1KMT2AMEN1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0445796-B1 | Derivatives of acetic acid containing peptide bonds | HOFFMANN LA ROCHE (CH) | 1998-06-17 | — | — | EP | disclosed |
| EP-0445796-A2 | Derivatives of acetic acid | F. HOFFMANN-LA ROCHE AG (CH) | 1991-09-11 | — | — | EP | disclosed |