Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | AHR | P35869 | 1/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.50 |
| ▸ | NQO1 | P15559 | 2/20 | 0.48 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.46 |
| ▸ | TUBB | P07437 | 1/20 | 0.46 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.46 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.46 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.46 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.46 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.46 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.46 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.46 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.46 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.46 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.46 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.46 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.46 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9741989 | 0.95 | CYP11B1 (0.49) | ESR1AHRCYP11B1CYP11B2NQO1 | |
| SCHEMBL9742978 | 0.91 | NQO1 (0.54) | CYP11B1CYP11B2NQO1TUBB4ATUBB | |
| SCHEMBL9744388 | 0.91 | MCHR1 (0.54) | ESR1AHRCYP11B1CYP11B2NQO1 | |
| SCHEMBL9743076 | 0.87 | APP (0.59) | NQO1APPCYP1A2CYP2A6HPGDS | |
| SCHEMBL9743365 | 0.87 | AHR (0.53) | AHRTUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL9742887 | 0.87 | TUBB4A (0.49) | AHRTUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL9743957 | 0.86 | NQO1 (0.48) | CYP11B1CYP11B2NQO1CYP1A2ACACB | |
| SCHEMBL9743507 | 0.85 | FFAR1 (0.46) | NQO1TUBB1APPCYP1A2CYP2A6 | |
| SCHEMBL9742093 | 0.85 | NQO1 (0.47) | CYP11B1CYP11B2NQO1CYP1A2ACACB | |
| SCHEMBL9744024 | 0.84 | AHR (0.50) | AHRACACBMCHR1TSHRLMNA |
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-5084204-A | Naphthylacetylenes | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-01-28 | — | — | US | disclosed |