Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | LIN28A | Q9H9Z2 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8615124 | 0.99 | ALDH1A1 (0.51) | ALDH1A1MAPTKMT2AHDAC1L3MBTL1 | |
| SCHEMBL8618984 | 0.90 | ALDH1A1 (0.54) | ALDH1A1MAPTKMT2AHDAC1POLB | |
| Hydrochloric Acid SCHEMBL8620325 | 0.89 | ALDH1A1 (0.53) | ALDH1A1MAPTKMT2AHDAC1L3MBTL1 | |
| SCHEMBL8967342 | 0.86 | HDAC1 (0.44) | ALDH1A1MAPTKMT2AHDAC1L3MBTL1 | |
| SCHEMBL8616106 | 0.85 | ALDH1A1 (0.48) | ALDH1A1MAPTKMT2AHDAC1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL8966843 | 0.85 | L3MBTL1 (0.46) | ALDH1A1MAPTKMT2AHDAC1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL8617887 | 0.84 | ALDH1A1 (0.47) | ALDH1A1MAPTKMT2AHDAC1L3MBTL1 | |
| SCHEMBL8616017 | 0.83 | HDAC1 (0.47) | ALDH1A1MAPTKMT2AHDAC1CYP1A2 | |
| SCHEMBL8614121 | 0.83 | ALDH1A1 (0.57) | ALDH1A1MAPTKMT2AHDAC1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL8620508 | 0.82 | HDAC1 (0.47) | ALDH1A1MAPTKMT2AHDAC1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5767121-A | ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-06-16 | — | — | US | disclosed |