Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | PHGDH | O43175 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6286462 | 0.82 | CYP2C19 (0.53) | KMT2ATDP1MAPTRAB9APOLB | |
| SCHEMBL17087197 | 0.77 | ALDH1A1 (0.52) | KMT2ATDP1MAPTRAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL7362832 | 0.76 | ALDH1A1 (0.51) | KMT2ATDP1MAPTRAB9ANPC1 | |
| SCHEMBL23061496 | 0.76 | HRH2 (0.51) | KMT2ATDP1MAPTRAB9APOLB | |
| SCHEMBL9551409 | 0.76 | RAB9A (0.51) | KMT2ATDP1MAPTRAB9APOLB | |
| SCHEMBL21097079 | 0.74 | HTR2A (0.52) | KMT2AMAPTRAB9ANPC1ALDH1A1 | |
| SCHEMBL1115881 | 0.73 | CYP1A2 (0.64) | KMT2ARAB9APOLBNPC1AKR1C3 | |
| SCHEMBL5126103 | 0.73 | MAPT (0.52) | MAPTRAB9APOLBAKR1C3PHGDH | |
| SCHEMBL5126112 | 0.73 | MAPT (0.52) | MAPTRAB9APOLBAKR1C3PHGDH | |
| SCHEMBL2597400 | 0.72 | BCL9 (0.63) | KMT2AMAPTRAB9APOLBNPC1 |
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-1677782-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005039496-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2005-05-06 | — | — | WO | disclosed |