Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 4/20 | 0.40 |
| ▸ | TLR2 | O60603 | 1/20 | 0.40 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.40 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PRKDC | P78527 | 1/20 | 0.38 |
| ▸ | NQO1 | P15559 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.36 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29968831 | 1.00 | ALDH1A1 (0.44) | ALDH1A1KDM4ETSHRTDP1ERN1 | |
| SCHEMBL28891975 | 1.00 | ALDH1A1 (0.44) | ALDH1A1KDM4ETSHRTDP1ERN1 | |
| SCHEMBL29876078 | 0.82 | NQO1 (0.50) | ALDH1A1KDM4ETSHRTDP1L3MBTL1 | |
| SCHEMBL4441470 | 0.82 | CCR1 (0.43) | ALDH1A1KDM4ETSHRTDP1L3MBTL1 | |
| SCHEMBL4444202 | 0.82 | CCR1 (0.43) | ALDH1A1KDM4ETSHRTDP1L3MBTL1 | |
| SCHEMBL10392528 | 0.82 | NQO1 (0.50) | ALDH1A1KDM4ETSHRTDP1L3MBTL1 | |
| SCHEMBL19999172 | 0.82 | NQO1 (0.50) | ALDH1A1KDM4ETSHRTDP1L3MBTL1 | |
| SCHEMBL10560500 | 0.81 | LMNA (0.42) | ALDH1A1KDM4ETSHRTDP1ERN1 | |
| SCHEMBL29084645 | 0.76 | ERN1 (0.53) | ALDH1A1KDM4ETSHRTDP1ERN1 | |
| SCHEMBL23720789 | 0.76 | LMNA (0.40) | ALDH1A1KDM4ETDP1ERN1L3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4820873-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-04-11 | — | — | US | disclosed |
| EP-0125701-B1 | POLYCYCLIC AROMATIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1988-08-03 | — | — | EP | disclosed |
| EP-0125701-A2 | Polycyclic aromatic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1984-11-21 | — | — | EP | disclosed |