Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | UBE2N | P61088 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3802831 | 0.85 | KMT2A (0.47) | KMT2AUSP2HPGDCA12CA1 | |
| SCHEMBL19615867 | 0.85 | KMT2A (0.39) | KMT2AUSP2HPGDCA12CA1 | |
| SCHEMBL19634911 | 0.83 | KMT2A (0.45) | KMT2AUSP2HPGDMAPK1TSHR | |
| SCHEMBL728450 | 0.78 | KMT2A (0.50) | KMT2AUSP2HPGDMAPK1TSHR | |
| SCHEMBL20944211 | 0.77 | KMT2A (0.49) | KMT2AUSP2HPGDCA12CA1 | |
| SCHEMBL974535 | 0.73 | LMNA (0.44) | KMT2ACYP2C9L3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL10427543 | 0.73 | KMT2A (0.41) | KMT2AUSP2HPGDMAPK1L3MBTL1 | |
| SCHEMBL11900175 | 0.73 | KMT2A (0.45) | KMT2AUSP2HPGDMAPK1TSHR | |
| SCHEMBL19635116 | 0.73 | KMT2A (0.39) | KMT2AUSP2HPGDCA12CA1 | |
| SCHEMBL22890802 | 0.72 | KMT2A (0.44) | KMT2AUSP2HPGDMAPK1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017198341-A1 | MACROCYCLIC INDOLE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2017-11-23 | — | — | WO | disclosed |