Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | AGXT | P21549 | 1/20 | 0.38 |
| ▸ | ATP4A | P20648 | 2/20 | 0.37 |
| ▸ | ATP4B | P51164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HBB | P68871 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | DHFR | P00374 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL945487 | 0.73 | ALDH1A1 (0.47) | ALDH1A1TSHRMAPTIDO1SMN1; SMN2 | |
| SCHEMBL23780592 | 0.73 | SMN1; SMN2 (0.48) | ALDH1A1TSHRMAPK1IDO1SMN1; SMN2 | |
| SCHEMBL8731639 | 0.73 | ATP4A (0.43) | ALDH1A1TSHRMAPTMAPK1TDP1 | |
| SCHEMBL23780588 | 0.73 | NR4A1 (0.45) | ALDH1A1TSHRMAPK1TDP1L3MBTL1 | |
| SCHEMBL3110227 | 0.72 | ALDH1A1 (0.43) | ALDH1A1TSHRMAPTL3MBTL1IDO1 | |
| Bromide SCHEMBL3107377 | 0.69 | ALDH1A1 (0.41) | ALDH1A1TSHRIDO1SMN1; SMN2AGXT | |
| SCHEMBL3165838 | 0.69 | LPO (0.40) | ALDH1A1TSHRMAPTIDO1SMN1; SMN2 | |
| SCHEMBL27360529 | 0.69 | ALDH1A1 (0.42) | ALDH1A1TSHRTDP1SMN1; SMN2 | |
| SCHEMBL27792150 | 0.69 | TSHR (0.50) | ALDH1A1TSHRMAPK1TDP1L3MBTL1 | |
| SCHEMBL29617408 | 0.68 | TSHR (0.46) | ALDH1A1TSHRIDO1SMN1; SMN2MEN1 |
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-101880283-B | Kinase inhibitors | BRISTOL MYERS SQUIBB CO | 2012-07-18 | — | — | CN | disclosed |