Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | TXNRD1 | Q16881 | 4/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | NCF1 | P14598 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.44 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4824287 | 0.84 | ALDH1A1 (0.57) | ALDH1A1POLBTXNRD1TDP1SMN1; SMN2 | |
| SCHEMBL3955324 | 0.79 | ALDH1A1 (1.00) | ALDH1A1POLBTDP1SMN1; SMN2MAPT | |
| SCHEMBL4816829 | 0.76 | ALDH1A1 (0.67) | ALDH1A1POLBTDP1NCF1SMN1; SMN2 | |
| SCHEMBL28286502 | 0.76 | ALDH1A1 (0.66) | ALDH1A1POLBTXNRD1TDP1SMN1; SMN2 | |
| SCHEMBL28044640 | 0.76 | ALDH1A1 (0.66) | ALDH1A1POLBTXNRD1TDP1SMN1; SMN2 | |
| SCHEMBL1200287 | 0.76 | ALDH1A1 (0.66) | ALDH1A1POLBTXNRD1TDP1SMN1; SMN2 | |
| SCHEMBL6272457 | 0.76 | ALDH1A1 (0.66) | ALDH1A1POLBTXNRD1TDP1SMN1; SMN2 | |
| SCHEMBL4818048 | 0.76 | ALDH1A1 (0.66) | ALDH1A1POLBTXNRD1TDP1NCF1 | |
| SCHEMBL28252545 | 0.76 | ALDH1A1 (0.66) | ALDH1A1POLBTXNRD1TDP1SMN1; SMN2 | |
| SCHEMBL4822352 | 0.75 | ALDH1A1 (0.65) | ALDH1A1POLBTXNRD1TDP1SMN1; 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 |
|---|---|---|---|---|---|---|---|
| US-5026694-A | Antitumor agents | THE BRITISH COLUMBIA CANCER FOUNDATION (CA) | 1991-06-25 | — | — | US | disclosed |