Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| Catechol SCHEMBL28144793 | 0.80 | IAPP (0.40) | TP53RAB9AKMT2AHPGDMEN1 | |
| Butyric Acid SCHEMBL27839710 | 0.79 | TP53 (0.55) | TP53RAB9AKMT2AHPGDMEN1 | |
| Trimethylammonium SCHEMBL421126 | 0.78 | TDP1 (0.38) | ALDH1A1TSHRCES2CES1 | |
| Trimethylammonium SCHEMBL2435214 | 0.77 | TDP1 (0.36) | ALDH1A1TSHRCES2CES1 | |
| Trimethylammonium SCHEMBL28049127 | 0.77 | TDP1 (0.36) | ALDH1A1TSHRCES2CES1 | |
| SCHEMBL422556 | 0.76 | — | — | |
| SCHEMBL28480691 | 0.75 | RAB9A (0.50) | TP53RAB9AKMT2AHPGDMEN1 | |
| N,N-Dimethylethanaminium SCHEMBL446273 | 0.75 | TDP1 (0.35) | ALDH1A1TSHRCES2CES1 | |
| Ammonia Solution, Strong SCHEMBL8445489 | 0.74 | — | — | |
| Methylamine SCHEMBL4377431 | 0.74 | CES2 (0.41) | TP53KMT2AMEN1ALDH1A1TSHR |
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-1653099-A | Core-shell polymeric compositions | MEADWESTVACO CORP (US) | 2005-08-10 | — | — | CN | claimed |
| CN-1653099-A | Core-shell polymeric compositions | MEADWESTVACO CORP (US) | 2005-08-10 | — | — | CN | disclosed |