Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 1/20 | 0.59 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.56 |
| ▸ | FBP1 | P09467 | 1/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.54 |
| ▸ | NQO2 | P16083 | 1/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.54 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.53 |
| ▸ | TUBB | P07437 | 1/20 | 0.53 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.53 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.53 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.53 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.53 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.53 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.53 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.53 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.53 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.53 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9322786 | 1.00 | RELA (0.59) | RELANFE2L2FBP1CYP19A1NQO2 | |
| SCHEMBL9320099 | 0.82 | CYP1A1 (0.61) | CYP19A1NQO2TUBB4ATUBBTUBA3C | |
| SCHEMBL9320106 | 0.82 | CYP1A1 (0.61) | CYP19A1NQO2TUBB4ATUBBTUBA3C | |
| SCHEMBL700055 | 0.81 | RELA (0.84) | RELANFE2L2FBP1CYP19A1NQO2 | |
| SCHEMBL700056 | 0.81 | RELA (0.84) | RELANFE2L2FBP1CYP19A1NQO2 | |
| SCHEMBL23158820 | 0.81 | RELA (0.84) | RELANFE2L2FBP1CYP19A1NQO2 | |
| SCHEMBL31317665 | 0.81 | RELA (0.84) | RELANFE2L2FBP1CYP19A1NQO2 | |
| SCHEMBL9322677 | 0.81 | BCHE (0.51) | CYP19A1BCHEMAOB | |
| SCHEMBL9322687 | 0.81 | BCHE (0.51) | CYP19A1BCHEMAOB | |
| SCHEMBL1308087 | 0.79 | RELA (0.62) | RELANFE2L2FBP1CYP19A1NQO2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020027304-A1 | NOVEL CAROTENOID-RELATED DERIVATIVES, AND SALTS, ESTERS, OR AMIDES THEREOF | アスタファーマシューティカルズ株式会社 | 2020-02-06 | — | — | WO | disclosed |
| EP-0440887-B1 | Improvement in the total synthesis of Erbstatin analogs | ERBA CARLO SPA (IT) | 1994-01-26 | — | — | EP | disclosed |
| US-5130472-A | TOTAL SYNTHESIS OF ERBSTATIN ANALOGS | FARMITALIA CARLO ERBA S.R.L. (IT) | 1992-07-14 | — | — | US | disclosed |
| EP-0440887-A1 | Improvement in the total synthesis of Erbstatin analogs | FARMITALIA CARLO ERBA S.r.l. (IT) | 1991-08-14 | — | — | EP | disclosed |