Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A1 | P22736 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | KDM4A | O75164 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.40 |
| ▸ | HIF1AN | Q9NWT6 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | AGER | Q15109 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27890846 | 0.84 | RPS6KB1 (0.44) | ALDH1A1EGFRKDM4EL3MBTL1 | |
| SCHEMBL27350076 | 0.81 | EGFR (0.38) | ALDH1A1EGFRL3MBTL1TDP1CYP3A4 | |
| SCHEMBL28801004 | 0.80 | KMT2A (0.45) | ALDH1A1KDM4ECYP3A4MAPTTSHR | |
| SCHEMBL28208000 | 0.75 | NR4A1 (0.53) | NR4A1NR4A2NR4A3ALDH1A1KDM4E | |
| SCHEMBL29550511 | 0.74 | NSD2 (0.60) | NR4A1NR4A2NR4A3ALDH1A1KDM4E | |
| SCHEMBL335469 | 0.74 | NSD2 (0.60) | NR4A1NR4A2NR4A3ALDH1A1KDM4E | |
| SCHEMBL10465985 | 0.74 | MGAM (0.57) | NR4A1NR4A2NR4A3ALDH1A1KDM4E | |
| SCHEMBL14024575 | 0.73 | RAB9A (0.38) | ALDH1A1EGFRL3MBTL1RAB9ATSHR | |
| SCHEMBL277181 | 0.73 | EGFR (0.47) | EGFRKDM4E | |
| SCHEMBL277182 | 0.73 | EGFR (0.47) | ALDH1A1EGFRKDM4EALOX15RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-102898417-A | Benzo-hexahydric nitrogenous heterocycle derivative | KBP BIOSCIENCES CO LTD | 2013-01-30 | — | — | CN | disclosed |