Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | CTSB | P07858 | 1/20 | 0.50 |
| ▸ | CTSH | P09668 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1562891 | 0.78 | ALDH1A1 (0.55) | ALDH1A1CTSBCTSHTDP1LMNA | |
| SCHEMBL20838472 | 0.76 | MAPT (0.55) | ALDH1A1CTSBCTSHLMNAGAA | |
| SCHEMBL10700281 | 0.73 | CTSB (0.55) | ALDH1A1CTSBCTSHSMN1; SMN2TDP1 | |
| SCHEMBL12258321 | 0.70 | CCR1 (0.57) | ALDH1A1CTSBCTSHGAAMAPT | |
| SCHEMBL4927428 | 0.69 | TDP1 (0.50) | ALDH1A1SMN1; SMN2TDP1TSHRKMT2A | |
| SCHEMBL7453126 | 0.69 | MEN1 (0.49) | ALDH1A1CTSBCTSHSMN1; SMN2TDP1 | |
| SCHEMBL20838493 | 0.69 | CCR1 (0.47) | ALDH1A1CTSBCTSHLMNAMAPT | |
| SCHEMBL2672168 | 0.69 | CTSB (0.58) | ALDH1A1CTSBCTSHCCR1RAB9A | |
| SCHEMBL1225832 | 0.69 | ALDH1A1 (1.00) | ALDH1A1CTSBCTSHSMN1; SMN2TDP1 | |
| SCHEMBL1562000 | 0.69 | CTSB (0.62) | ALDH1A1CTSBCTSHSMN1; SMN2TDP1 |
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-109369520-A | A kind of novel dinitro quinolines and its preparation method and application | 广东工业大学 | 2019-02-22 | — | — | CN | disclosed |