Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10414811 | 0.87 | MAPT (0.31) | TSHRTDP1 | |
| SCHEMBL10548185 | 0.86 | MAPT (0.37) | ALDH1A1TSHRKDM4ETDP1 | |
| SCHEMBL10548998 | 0.86 | LMNA (0.36) | ALDH1A1TSHRTDP1 | |
| SCHEMBL10548032 | 0.80 | KLK7 (0.35) | ALDH1A1TSHRTDP1 | |
| SCHEMBL10413404 | 0.76 | MAPT (0.39) | TSHRTDP1 | |
| SCHEMBL10544574 | 0.76 | ALDH1A1 (0.37) | ALDH1A1EGFRKDM4E | |
| SCHEMBL10544583 | 0.76 | ALDH1A1 (0.37) | ALDH1A1EGFRKDM4E | |
| SCHEMBL10551840 | 0.75 | KMT2A (0.42) | ALDH1A1TSHR | |
| SCHEMBL10547432 | 0.75 | KMT2A (0.42) | ALDH1A1TSHR | |
| SCHEMBL10545815 | 0.74 | KMT2A (0.42) | ALDH1A1TSHRKDM4ETDP1 |
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-4831130-A | β-lactam antibacterial agents | HOFFMANN-LA ROCHE INC. (US) | 1989-05-16 | — | — | US | disclosed |