Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | F2R | P25116 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL13761364 | 0.85 | ALDH1A1 (0.66) | ALDH1A1HTTCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL15228675 | 0.83 | ALDH1A1 (0.48) | ALDH1A1ALOX5HTTCYP1A2CYP3A4 | |
| SCHEMBL551897 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HTTCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL551896 | 0.78 | ALDH1A1 (0.47) | ALDH1A1HTTCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL29279663 | 0.76 | TSHR (0.52) | ALDH1A1HTTCYP1A2CYP2C19LMNA | |
| SCHEMBL28884085 | 0.76 | F2R (0.43) | ALDH1A1LMNAMEN1KMT2AF2R | |
| SCHEMBL27494473 | 0.75 | NPC1 (0.55) | ALDH1A1HTTCYP1A2CYP2C19MEN1 | |
| SCHEMBL25607328 | 0.73 | NPC1 (0.51) | ALDH1A1ALOX5HTTCYP1A2CYP3A4 | |
| SCHEMBL1873518 | 0.72 | KMT2A (0.41) | ALDH1A1LMNAMEN1KMT2AF2R | |
| SCHEMBL27986290 | 0.72 | MAPK8 (0.47) | ALDH1A1LMNAMEN1KMT2APOLB |
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-105085477-A | Dihalopyridylpyrazolyl amide compounds and application thereof | NANJING GUANGFANG BIOTECHNOLOGY CO LTD | 2015-11-25 | — | — | CN | disclosed |