Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HMGB1 | P09429 | 2/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | GGT1 | P19440 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10349585 | 0.85 | ALDH1A1 (0.39) | ALDH1A1KMT2ATDP1GAAALOX15 | |
| SCHEMBL4609062 | 0.81 | PDK2 (0.34) | ALDH1A1TDP1TSHRHTTRECQL | |
| SCHEMBL7045747 | 0.80 | TRPM8 (0.36) | CA1CA2CA9 | |
| SCHEMBL1465848 | 0.75 | — | — | |
| SCHEMBL4279554 | 0.74 | PDE4A (0.32) | — | |
| SCHEMBL2082916 | 0.73 | LMNA (0.38) | ALDH1A1KMT2ATDP1GAAHPGD | |
| SCHEMBL4298018 | 0.73 | APOBEC3G (0.32) | — | |
| SCHEMBL6671659 | 0.72 | NR1H4 (0.42) | ALDH1A1KMT2AHPGDTSHRCA12 | |
| SCHEMBL27433644 | 0.71 | ALDH1A1 (0.50) | ALDH1A1KMT2ATDP1GAAALOX15 | |
| SCHEMBL4609578 | 0.70 | PDE2A (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0751144-B1 | Novel anthracycline prodrugs, method for preparation as well as their use in selective chemotherapy | PHARMACHEMIE BV (NL) | 2004-10-06 | — | — | EP | disclosed |
| US-5710135-A | ENZYMATICALLY CLEAVABLE; ANTITUMOR AGENTS | PHARMACHEMIE B.V. (NL) | 1998-01-20 | — | — | US | disclosed |
| EP-0751144-A1 | Novel anthracycline prodrugs, method for preparation as well as their use in selective chemotherapy | PHARMACHEMIE B.V. (NL) | 1997-01-02 | — | — | EP | disclosed |