Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9469517 | 0.76 | PKM (0.38) | PKMKMT2AAKR1B1HSD11B1KEAP1 | |
| SCHEMBL7352190 | 0.73 | PKM (0.36) | PKMKMT2AAKR1B1HSD11B1KEAP1 | |
| SCHEMBL17784279 | 0.67 | NPSR1 (0.37) | KMT2ACYP2C19ALOX15CA12CA1 | |
| SCHEMBL1847048 | 0.66 | PKM (0.37) | PKMKMT2AAKR1B1HSD11B1CYP2C19 | |
| SCHEMBL8074486 | 0.66 | PKM (0.37) | PKMKMT2AAKR1B1HSD11B1TSHR | |
| SCHEMBL7270073 | 0.66 | PKM (0.37) | PKMKMT2AAKR1B1HSD11B1TSHR | |
| SCHEMBL9510565 | 0.65 | HTT (0.31) | HTT | |
| SCHEMBL15136482 | 0.64 | MAPT (0.36) | KMT2ACYP2C19ALOX15CA12CA1 | |
| SCHEMBL9112829 | 0.64 | CA12 (0.36) | KMT2AGSK3BALOX15CA12CA1 | |
| SCHEMBL28956318 | 0.63 | AKR1C1 (0.41) | PKMKMT2AALOX15CA12CA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0254545-B1 | DIAMINE COMPOUNDS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-10-06 | — | — | EP | disclosed |
| EP-0254545-A2 | Diamine compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-01-27 | — | — | EP | disclosed |