Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | TSHR | P16473 | 5/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.53 |
| ▸ | LPAR3 | Q9UBY5 | 2/20 | 0.52 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24168387 | 1.00 | ALDH1A1 (0.61) | ALDH1A1TSHRCYP3A4ATMHCAR2 | |
| SCHEMBL14524585 | 1.00 | ALDH1A1 (0.61) | ALDH1A1TSHRCYP3A4ATMHCAR2 | |
| SCHEMBL8669779 | 1.00 | ALDH1A1 (0.61) | ALDH1A1TSHRCYP3A4ATMHCAR2 | |
| SCHEMBL29220198 | 1.00 | ALDH1A1 (0.61) | ALDH1A1TSHRCYP3A4ATMHCAR2 | |
| SCHEMBL29220179 | 0.98 | TSHR (0.58) | ALDH1A1TSHRCYP3A4ATMHCAR2 | |
| SCHEMBL28338258 | 0.92 | HCAR2 (0.66) | ALDH1A1TSHRCYP3A4ATMHCAR2 | |
| SCHEMBL9860578 | 0.91 | ATM (0.58) | ALDH1A1TSHRCYP3A4ATMHCAR2 | |
| SCHEMBL23797510 | 0.91 | ATM (0.58) | ALDH1A1TSHRCYP3A4ATMHCAR2 | |
| SCHEMBL28879793 | 0.91 | HCAR2 (0.64) | ALDH1A1TSHRCYP3A4ATMHCAR2 | |
| SCHEMBL29220180 | 0.90 | HCAR2 (0.65) | ALDH1A1TSHRCYP3A4ATMHCAR2 |
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-5830835-A | FABRIC SOFTENER, PERFUME ESTER MIXTURES | PROCTER & GAMBLE COMPANY (US) | 1998-11-03 | — | — | US | disclosed |