Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9194575 | 0.81 | MAPK14 (0.44) | MAPK14KDM4EALDH1A1RAB9ANPC1 | |
| SCHEMBL14502332 | 0.68 | EGFR (0.47) | MAPK14KDM4EALDH1A1RAB9ANPC1 | |
| SCHEMBL6987562 | 0.66 | MAPK14 (0.58) | MAPK14KDM4EALDH1A1RAB9ANPC1 | |
| O-Xylene SCHEMBL27940270 | 0.63 | TSHR (0.62) | ALDH1A1RAB9ANPC1HSD17B10TSHR | |
| SCHEMBL5388438 | 0.63 | MAPK14 (1.00) | MAPK14PTGS2EGFRKDRCSNK1A1 | |
| Formamide SCHEMBL1135977 | 0.63 | PDCD1 (0.47) | KDM4EALDH1A1RAB9ANPC1HPGD | |
| Formamide SCHEMBL15017827 | 0.63 | PDE5A (0.41) | MAPK14ALDH1A1NPSR1GAATSHR | |
| SCHEMBL28801151 | 0.63 | POLB (0.38) | MAPK14RAB9ANPC1HPGDHSD17B10 | |
| Formamide SCHEMBL18138805 | 0.62 | PDCD1 (0.46) | KDM4EALDH1A1RAB9ANPC1HPGD | |
| Formamide SCHEMBL28646858 | 0.62 | PDCD1 (0.46) | KDM4EALDH1A1RAB9ANPC1HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112654608-B | Fused ring compound having urea structure | 桑福德伯纳姆普利斯医学发现研究所 | 2024-05-07 | — | — | CN | disclosed |
| EP-3818053-A1 | FUSED RING COMPOUND HAVING UREA STRUCTURE | Sanford Burnham Prebys Medical Discovery Institute (US) | 2021-05-12 | — | — | EP | disclosed |
| CN-112654608-A | Condensed ring compounds having urea structure | 桑福德伯纳姆普利斯医学发现研究所 | 2021-04-13 | — | — | CN | disclosed |