Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | ELANE | P08246 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.43 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.43 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | VCP | P55072 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14908434 | 0.95 | RAB9A (0.51) | ALDH1A1SRD5A2RAB9AHPGDNPC1 | |
| SCHEMBL8049735 | 0.93 | ALDH1A1 (0.43) | ALDH1A1SRD5A2RAB9AHPGDMEN1 | |
| SCHEMBL27027138 | 0.85 | ESR1 (0.37) | ALDH1A1RAB9AHPGDNPC1MEN1 | |
| SCHEMBL3603052 | 0.84 | LTA4H (0.50) | ALDH1A1RAB9AHPGDNPC1ATM | |
| SCHEMBL6036758 | 0.83 | RARB (0.55) | ALDH1A1SRD5A2HPGDSMN1; SMN2 | |
| SCHEMBL28337840 | 0.82 | MEN1 (0.46) | ALDH1A1RAB9AHPGDNPC1MEN1 | |
| SCHEMBL6132177 | 0.81 | PTPN11 (0.50) | ALDH1A1RAB9AHPGDMEN1KMT2A | |
| SCHEMBL11127645 | 0.81 | CES2 (0.50) | SRD5A2RAB9AHPGDMAPTFFAR1 | |
| Acetic Acid SCHEMBL28180146 | 0.81 | FFAR1 (0.46) | ALDH1A1RAB9AHPGDNPC1MEN1 | |
| SCHEMBL1744898 | 0.81 | ALDH1A1 (0.64) | ALDH1A1SRD5A2RAB9AHPGDNPC1 |
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-109880088-B | Poly (trimethylsilyl) triazole and preparation method and application thereof | 苏州大学 | 2021-03-12 | — | — | CN | disclosed |
| US-6140503-A | Organometallic compounds | ACADEMIA SINICA (TW) | 2000-10-31 | — | — | US | disclosed |