Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP1 | P11387 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | GAA | P10253 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.44 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11279778 | 0.83 | TSHR (0.47) | TOP1ALDH1A1GAATSHRRAB9A | |
| SCHEMBL11458211 | 0.81 | TSHR (0.44) | TOP1ALDH1A1GAATSHRRAB9A | |
| SCHEMBL9668900 | 0.75 | TOP1 (0.65) | TOP1ALDH1A1GAATSHRRAB9A | |
| SCHEMBL18232126 | 0.75 | CA1 (0.69) | ALDH1A1TSHRCA1CA2SMN1; SMN2 | |
| SCHEMBL1649573 | 0.75 | CA1 (0.69) | ALDH1A1TSHRCA1CA2SMN1; SMN2 | |
| SCHEMBL10102772 | 0.75 | CA1 (0.69) | ALDH1A1TSHRCA1CA2SMN1; SMN2 | |
| SCHEMBL10817270 | 0.74 | TSHR (0.48) | TOP1ALDH1A1GAATSHRRAB9A | |
| SCHEMBL11274306 | 0.74 | TSHR (0.45) | TOP1ALDH1A1GAATSHRRAB9A | |
| SCHEMBL4677603 | 0.74 | CA1 (0.64) | ALDH1A1CA1CA2SMN1; SMN2NPC1 | |
| SCHEMBL11284511 | 0.74 | TOP1 (0.67) | TOP1ALDH1A1GAATSHRRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0367124-A1 | Penicillanic acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1990-05-09 | — | — | EP | disclosed |