Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL27380663 | 0.83 | ALOX5 (0.44) | NOTUM | |
| SCHEMBL28103270 | 0.83 | ALDH1A1 (0.34) | ALDH1A1MAPK1LMNATSHRALOX15 | |
| SCHEMBL27671224 | 0.83 | ALOX5 (0.41) | NOTUMNPC1RAB9AALOX15GAA | |
| SCHEMBL28103503 | 0.83 | NOTUM (0.40) | NOTUMMAOBTDP1GAACA12 | |
| SCHEMBL28103502 | 0.81 | ALOX5 (0.47) | KDM4EALDH1A1MAPTPOLBGAA | |
| SCHEMBL28103276 | 0.81 | KDM4E (0.39) | KDM4ETP53POLB | |
| SCHEMBL28103547 | 0.80 | ADRB2 (0.41) | KDM4EALDH1A1MAPTNPSR1 | |
| SCHEMBL28103613 | 0.80 | MGLL (0.37) | KDM4EALDH1A1MAPTLMNATDP1 | |
| SCHEMBL27505117 | 0.80 | DDB1 (0.31) | — | |
| SCHEMBL27529999 | 0.79 | KAT2B (0.38) | ALDH1A1MAPTHTTPOLBHPGD |
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-106061950-A | Method for producing pyrazole compound | 住友化学株式会社 | 2016-10-26 | — | — | CN | disclosed |
| CN-102485743-A | Antineoplastic compound | BEIJING HANMEI PHARMACEUTICAL CO LTD | 2012-06-06 | — | — | CN | disclosed |