Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7533894 | 1.00 | KDM4E (0.42) | KDM4EALDH1A1CYP1A2POLBCYP2C19 | |
| SCHEMBL7530209 | 0.86 | RAB9A (0.46) | KDM4EALDH1A1NPC1SMN1; SMN2RAB9A | |
| SCHEMBL7530215 | 0.86 | RAB9A (0.46) | KDM4EALDH1A1NPC1SMN1; SMN2RAB9A | |
| SCHEMBL7562077 | 0.83 | SMN1; SMN2 (0.51) | KDM4EALDH1A1POLBHSD17B10NPC1 | |
| SCHEMBL7562081 | 0.83 | SMN1; SMN2 (0.51) | KDM4EALDH1A1POLBHSD17B10NPC1 | |
| Hydrochloric Acid SCHEMBL6681611 | 0.82 | SMN1; SMN2 (0.50) | KDM4EALDH1A1POLBHSD17B10NPC1 | |
| SCHEMBL13899212 | 0.81 | KDM4E (0.45) | KDM4EALDH1A1CYP1A2POLBCYP2C19 | |
| Hydrochloric Acid SCHEMBL7560304 | 0.81 | MAPT (0.50) | KDM4EALDH1A1POLBCYP2C19HSD17B10 | |
| Hydrochloric Acid SCHEMBL7560310 | 0.81 | MAPT (0.50) | KDM4EALDH1A1POLBCYP2C19HSD17B10 | |
| SCHEMBL13899150 | 0.79 | KDM4E (0.48) | KDM4EALDH1A1CYP1A2POLBCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002023784-A2 | CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-03-21 | — | — | WO | disclosed |