Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 6/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9720639 | 1.00 | ALDH1A1 (0.47) | ALDH1A1ATMTSHRHPGDRAB9A | |
| SCHEMBL9720615 | 0.88 | LMNA (0.38) | ALDH1A1TSHRESR1HCAR2LMNA | |
| SCHEMBL9720620 | 0.88 | LMNA (0.38) | ALDH1A1TSHRESR1HCAR2LMNA | |
| SCHEMBL9720591 | 0.86 | ALDH1A1 (0.56) | ALDH1A1ATMTSHRHPGDNPSR1 | |
| SCHEMBL9720593 | 0.86 | ALDH1A1 (0.56) | ALDH1A1ATMTSHRHPGDNPSR1 | |
| SCHEMBL2209514 | 0.80 | ALDH1A1 (0.56) | ALDH1A1ATMTSHRHPGDRAB9A | |
| SCHEMBL26670087 | 0.79 | TSHR (0.59) | ALDH1A1ATMTSHRNPSR1HCAR2 | |
| SCHEMBL9842483 | 0.79 | ALOX15 (0.48) | ALDH1A1TSHRNPSR1MAPTLMNA | |
| SCHEMBL8657241 | 0.79 | ALOX15 (0.48) | ALDH1A1TSHRNPSR1MAPTLMNA | |
| SCHEMBL8657246 | 0.79 | ALOX15 (0.48) | ALDH1A1TSHRNPSR1MAPTLMNA |
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-5101067-A | Chemical intermediates for pyridinedicarboxylic acid esters, herbicides | WACKER-CHEMIE GMBH (DE) | 1992-03-31 | — | — | US | disclosed |
| US-5008392-A | Reacting 2,3-dihalomaleic acid esters with ammonia or salts, reacting product with alpha, B-unsaturated aldehydes or ketones | WACKER-CHEMIE GMBH (DE) | 1991-04-16 | — | — | US | disclosed |