Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27529609 | 0.87 | ALDH1A1 (0.44) | ALDH1A1PTPN1NPC1RAB9AHCAR2 | |
| SCHEMBL9025685 | 0.77 | TSHR (0.43) | ALDH1A1PTPN1NPC1RAB9AHCAR2 | |
| SCHEMBL10350106 | 0.75 | ALDH1A1 (0.46) | ALDH1A1HCAR2KMT2AMAPK1L3MBTL1 | |
| SCHEMBL11475913 | 0.73 | ALDH1A1 (0.52) | ALDH1A1PTPN1KMT2AMAPK1L3MBTL1 | |
| SCHEMBL883026 | 0.73 | SLC16A3 (0.55) | ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2 | |
| SCHEMBL10838383 | 0.72 | ALDH1A1 (0.39) | ALDH1A1PTPN1NPC1RAB9AKMT2A | |
| SCHEMBL27532312 | 0.72 | PTPN1 (0.43) | ALDH1A1PTPN1KMT2ASLC6A2MEN1 | |
| SCHEMBL10838389 | 0.72 | ALDH1A1 (0.39) | ALDH1A1PTPN1NPC1RAB9AKMT2A | |
| SCHEMBL10838991 | 0.72 | ALDH1A1 (0.39) | ALDH1A1PTPN1NPC1RAB9AKMT2A | |
| SCHEMBL30194827 | 0.72 | ALDH1A1 (0.43) | ALDH1A1PTPN1NPC1RAB9AHCAR2 |
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-1068333-A | Has hydrazine analog derivative of pharmacologically active and preparation method thereof | CIBA GEIGY AG (CH) | 1993-01-27 | — | — | CN | disclosed |