Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 6/20 | 0.39 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | NNMT | P40261 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 3/20 | 0.38 |
| ▸ | PARP1 | P09874 | 3/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | TEC | P42680 | 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 | |
|---|---|---|---|---|
| SCHEMBL30017135 | 1.00 | KDM4E (0.40) | KDM4EMEN1KMT2ASCN9ABCAT2 | |
| SCHEMBL4504523 | 0.78 | JAK2 (0.49) | KDM4EMEN1KMT2ABCAT2ALDH1A1 | |
| SCHEMBL12500597 | 0.76 | NNMT (0.66) | KDM4ESCN9ANNMTPARP1 | |
| SCHEMBL4782645 | 0.75 | BCAT2 (0.46) | KDM4EMEN1KMT2ABCAT2ALDH1A1 | |
| SCHEMBL6616377 | 0.73 | BCAT2 (0.47) | KDM4EMEN1KMT2ABCAT2ALDH1A1 | |
| SCHEMBL29002505 | 0.72 | KDM4E (0.53) | KDM4EMEN1KMT2ABCAT2ALDH1A1 | |
| SCHEMBL4517767 | 0.70 | BCAT2 (0.51) | SCN9ABCAT2CYP2C9 | |
| SCHEMBL1533665 | 0.69 | PARP1 (0.54) | KDM4EMEN1KMT2ABCAT2ALDH1A1 | |
| SCHEMBL21056648 | 0.68 | POLB (0.60) | KDM4EMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL1231452 | 0.68 | BCAT2 (0.57) | SCN9ABCAT2CYP2C9CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113264945-B | Spiro derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2022-11-22 | — | — | CN | disclosed |
| CN-113264945-A | Spiro derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2021-08-17 | — | — | CN | disclosed |