Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.71 |
| ▸ | TSHR | P16473 | 1/20 | 0.71 |
| ▸ | ASAH1 | Q13510 | 7/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL11625054 | 0.90 | ALDH1A1 (0.70) | ALDH1A1TSHRASAH1ADORA2AADORA1 | |
| SCHEMBL11627490 | 0.89 | ALDH1A1 (0.71) | ALDH1A1TSHRASAH1ADORA2AADORA1 | |
| SCHEMBL205803 | 0.85 | TSHR (0.87) | ALDH1A1TSHRASAH1HPGDSMN1; SMN2 | |
| SCHEMBL203352 | 0.84 | TSHR (0.70) | ALDH1A1TSHRASAH1ADORA2AADORA1 | |
| Benomyl SCHEMBL29379464 | 0.83 | TSHR (1.00) | ALDH1A1TSHRASAH1SMN1; SMN2TP53 | |
| Benomyl SCHEMBL8379451 | 0.83 | TSHR (1.00) | ALDH1A1TSHRASAH1SMN1; SMN2TP53 | |
| Benomyl SCHEMBL15681 | 0.83 | TSHR (1.00) | ALDH1A1TSHRASAH1SMN1; SMN2TP53 | |
| SCHEMBL9578798 | 0.83 | TSHR (0.78) | ALDH1A1TSHRASAH1SMN1; SMN2TP53 | |
| SCHEMBL159671 | 0.82 | TSHR (0.74) | ALDH1A1TSHRASAH1HPGDSMN1; SMN2 | |
| Benomyl SCHEMBL3962065 | 0.82 | TSHR (0.98) | ALDH1A1TSHRASAH1SMN1; SMN2TP53 |
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-4560738-A | REACTION OF ACTIVE HYDROGEN PESTICIDE WITH POLYETHER ISOCYANATE | BAYER AKTIENGESELLSCHAFT (DE) | 1985-12-24 | — | — | US | disclosed |