Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9872913 | 0.76 | KMT2A (0.41) | KMT2ATP53ESR1ESR2CA12 | |
| SCHEMBL9873993 | 0.76 | TSHR (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9872562 | 0.75 | MAPK1 (0.39) | KMT2ATP53ESR1ESR2KDM4E | |
| SCHEMBL9873671 | 0.74 | CRHBP (0.45) | KMT2ATP53ESR1ESR2CA12 | |
| SCHEMBL9874015 | 0.74 | LMNA (0.40) | KMT2ATP53KDM4EALDH1A1LMNA | |
| SCHEMBL18527167 | 0.68 | ESR1 (0.47) | KMT2AESR1ESR2KDM4EALDH1A1 | |
| SCHEMBL11000173 | 0.67 | KMT2A (0.57) | KMT2AESR1ESR2KDM4EALDH1A1 | |
| SCHEMBL13545931 | 0.66 | ESR1 (0.72) | KMT2AESR1ESR2CA12CA1 | |
| SCHEMBL505248 | 0.66 | LMNA (0.57) | KMT2ATP53CA12CA1CA2 | |
| SCHEMBL28947855 | 0.66 | ESR1 (0.45) | KMT2AESR1ESR2KDM4EALDH1A1 |
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-4990508-A | Reduced side effects | TOYAMA CHEMICAL CO., LTD. (JP) | 1991-02-05 | — | — | US | disclosed |