Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | FNTA | P49354 | 1/20 | 0.38 |
| ▸ | FNTB | P49356 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | RXRG | P48443 | 1/20 | 0.34 |
| ▸ | ESRRB | O95718 | 1/20 | 0.34 |
| ▸ | ESRRG | P62508 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7432156 | 0.83 | ALOX5 (0.47) | SLC6A2RXRARXRBRXRG | |
| SCHEMBL9131807 | 0.80 | GABRA1 (0.41) | ALDH1A1TSHRTDP1FNTAFNTB | |
| SCHEMBL7435278 | 0.76 | ALDH1A1 (0.36) | ALDH1A1TSHRTDP1NR1H4 | |
| SCHEMBL7437942 | 0.74 | ALDH1A1 (0.43) | ALDH1A1TSHRTDP1KEAP1 | |
| SCHEMBL7537482 | 0.71 | ALDH1A1 (0.31) | ALDH1A1TSHRTDP1 | |
| SCHEMBL7430752 | 0.69 | CYP26A1 (0.34) | ALDH1A1TSHRNR1H4 | |
| SCHEMBL7432817 | 0.68 | ALDH1A1 (0.42) | ALDH1A1TSHRTDP1CA2TAAR1 | |
| SCHEMBL7434130 | 0.67 | GABRA1 (0.41) | TSHRCA2TAAR1SLC6A2 | |
| SCHEMBL11352572 | 0.67 | CALM1 (0.46) | ALDH1A1TSHRTDP1ESR1SLC6A2 | |
| SCHEMBL12162720 | 0.66 | ALDH1A1 (0.43) | ALDH1A1TSHRTDP1CA2 |
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-5491149-A | VIRICIDES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-02-13 | — | — | US | disclosed |