Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | AKT2 | P31751 | 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 | |
|---|---|---|---|---|
| SCHEMBL28862553 | 0.79 | KDM4E (0.45) | KDM4ENPC1ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL84546 | 0.75 | TSHR (0.59) | KDM4ENPC1ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL69417 | 0.71 | NPC1 (0.46) | KDM4ENPC1ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL12102873 | 0.71 | CYP4F2 (0.43) | KDM4ENPC1ALDH1A1SMN1; SMN2TP53 | |
| SCHEMBL24670424 | 0.68 | HRH3 (0.50) | KDM4ENPC1ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL27807821 | 0.68 | ADRB2 (0.62) | KDM4ENPC1ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL27594199 | 0.67 | LTA4H (0.50) | KDM4ENPC1ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL22036434 | 0.67 | NPC1 (0.65) | KDM4ENPC1ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL26684345 | 0.67 | NPC1 (0.53) | KDM4ENPC1ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL15240579 | 0.66 | — | — |
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-2022187693-A1 | COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES | UMBRA THERAPEUTICS INC. (US) | 2022-09-09 | — | — | WO | disclosed |