Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.61 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.61 |
| ▸ | KDR | P35968 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.57 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | CA12 | O43570 | 3/20 | 0.55 |
| ▸ | CA1 | P00915 | 3/20 | 0.55 |
| ▸ | CA2 | P00918 | 3/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL18746585 | 0.93 | MEN1 (0.50) | ESR1TSHRALDH1A1CHRM1SLC6A2 | |
| SCHEMBL2908935 | 0.84 | RAB9A (0.49) | ESR1TSHRALDH1A1CHRM1SLC6A2 | |
| SCHEMBL2834690 | 0.84 | CA12 (0.46) | ESR1TSHRALDH1A1CHRM1SLC6A2 | |
| SCHEMBL576722 | 0.84 | TDP1 (0.63) | ESR1TSHRALDH1A1SLC6A2TDP1 | |
| SCHEMBL132567 | 0.82 | ESR1 (0.77) | ESR1TSHRALDH1A1CHRM1SLC6A2 | |
| SCHEMBL7872582 | 0.81 | CA12 (0.63) | ESR1TSHRALDH1A1CHRM1SLC6A2 | |
| SCHEMBL30012749 | 0.80 | KMT2A (0.61) | ALDH1A1TDP1LMNASMN1; SMN2CYP2D6 | |
| SCHEMBL2880231 | 0.79 | ESR1 (0.79) | ESR1TSHRALDH1A1CHRM1SLC6A2 | |
| SCHEMBL8638181 | 0.79 | ESR1 (0.79) | ESR1TSHRALDH1A1CHRM1SLC6A2 | |
| SCHEMBL11604595 | 0.78 | TSHR (0.45) | ESR1TSHRALDH1A1CHRM1SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6316500-B1 | FOR USE IN FOOD, BEVERAGE, COSMETIC, AGRICHEMICAL AND TOPICALLY APPLIED PHARMACEUTICAL FORMULATION FOR PREVENTING MICROORGANISM OR FUNGUS GROWTH | ISP INVESTMENTS INC. | 2001-11-13 | — | — | US | disclosed |
| WO-2000040544-A1 | ALIPHATICALLY UNSATURATED HYDROXY BENZOATES AND PRESERVATIVE COMPOSITIONS THEREOF | ISP INVESTMENTS INC. (US) | 2000-07-13 | — | — | WO | disclosed |