Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28801119 | 0.77 | ALDH1A1 (0.51) | ALDH1A1L3MBTL1POLBTDP1HSD17B10 | |
| SCHEMBL15568967 | 0.73 | ALDH1A1 (0.45) | ALDH1A1L3MBTL1RORCLMNARAB9A | |
| SCHEMBL28116838 | 0.71 | HSD17B10 (0.56) | ALDH1A1L3MBTL1POLBTDP1HSD17B10 | |
| SCHEMBL4423914 | 0.70 | MAPT (0.57) | ALDH1A1L3MBTL1KLKB1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL2722945 | 0.69 | MAPT (0.56) | ALDH1A1L3MBTL1KLKB1MEN1KMT2A | |
| SCHEMBL22619696 | 0.69 | ALDH1A1 (0.66) | ALDH1A1L3MBTL1POLBKLKB1MEN1 | |
| Hydrochloric Acid SCHEMBL22619646 | 0.68 | ALDH1A1 (0.64) | ALDH1A1L3MBTL1POLBKLKB1MEN1 | |
| Hydrochloric Acid SCHEMBL28522525 | 0.68 | ALDH1A1 (0.64) | ALDH1A1L3MBTL1POLBKLKB1MEN1 | |
| SCHEMBL6264956 | 0.68 | L3MBTL1 (0.65) | ALDH1A1L3MBTL1POLBTDP1HSD17B10 | |
| SCHEMBL15173346 | 0.68 | TAAR1 (0.47) | MEN1KMT2ARORCLMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105143220-A | Novel pyrazole derivatives | HOFFMANN LA ROCHE | 2015-12-09 | — | — | CN | disclosed |