Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | NSD2 | O96028 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 5/20 | 0.52 |
| ▸ | CA2 | P00918 | 5/20 | 0.52 |
| ▸ | CA12 | O43570 | 4/20 | 0.52 |
| ▸ | CA9 | Q16790 | 4/20 | 0.52 |
| ▸ | CA3 | P07451 | 3/20 | 0.52 |
| ▸ | CA6 | P23280 | 3/20 | 0.52 |
| ▸ | CA5A | P35218 | 3/20 | 0.52 |
| ▸ | CA7 | P43166 | 3/20 | 0.52 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.52 |
| ▸ | CA4 | P22748 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 3/20 | 0.51 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8211454 | 0.86 | KMT2A (0.51) | HSP90AA1KMT2ATP53MDM2LMNA | |
| SCHEMBL8210407 | 0.83 | KMT2A (0.53) | KMT2ANSD2TP53HPGDLMNA | |
| SCHEMBL20915155 | 0.82 | GAA (0.72) | KMT2ANSD2HPGDGAAMAPT | |
| SCHEMBL8212472 | 0.81 | ACKR3 (0.55) | KMT2ATP53HPGDLMNAL3MBTL1 | |
| SCHEMBL8206773 | 0.81 | CYP3A4 (0.53) | KMT2ANSD2TP53HPGDLMNA | |
| SCHEMBL8200561 | 0.80 | TAAR1 (0.59) | HSP90AA1KMT2ANSD2CA1CA2 | |
| SCHEMBL8206949 | 0.78 | LMNA (0.57) | KMT2AHPGDLMNAL3MBTL1APEX1 | |
| SCHEMBL8211804 | 0.77 | LMNA (0.66) | HSP90AA1KMT2ATP53HPGDLMNA | |
| SCHEMBL8212496 | 0.77 | GAA (0.56) | KMT2AHPGDLMNAGAAAPEX1 | |
| SCHEMBL7426583 | 0.77 | NCEH1 (0.48) | TP53MDM2MAPT |
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-6143777-A | ENZYME INHIBITORS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-11-07 | — | — | US | disclosed |