Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 8/20 | 0.61 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.61 |
| ▸ | NQO2 | P16083 | 5/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.52 |
| ▸ | ABL1 | P00519 | 3/20 | 0.52 |
| ▸ | BCR | P11274 | 3/20 | 0.52 |
| ▸ | TTR | P02766 | 3/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.52 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.52 |
| ▸ | TUBB | P07437 | 1/20 | 0.52 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.52 |
| ▸ | AHR | P35869 | 1/20 | 0.52 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.52 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.52 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.52 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9320099 | 1.00 | CYP1A1 (0.61) | CYP1A1CYP1B1NQO2CYP1A2ABL1 | |
| SCHEMBL9322786 | 0.82 | RELA (0.59) | CYP1A1CYP1B1NQO2CYP1A2CYP19A1 | |
| SCHEMBL9322769 | 0.82 | RELA (0.59) | CYP1A1CYP1B1NQO2CYP1A2CYP19A1 | |
| SCHEMBL49339 | 0.80 | ALDH1A1 (0.57) | CYP1A1CYP1B1NQO2CYP1A2ABL1 | |
| SCHEMBL6233317 | 0.80 | ALDH1A1 (0.57) | CYP1A1CYP1B1NQO2CYP1A2ABL1 | |
| SCHEMBL49338 | 0.80 | ALDH1A1 (0.57) | CYP1A1CYP1B1NQO2CYP1A2ABL1 | |
| SCHEMBL23209621 | 0.78 | ALDH1A1 (0.56) | CYP1A1CYP1B1NQO2CYP1A2ABL1 | |
| SCHEMBL9320689 | 0.78 | MAPT (0.60) | CYP1A1CYP1B1TTRCYP19A1TUBB4A | |
| SCHEMBL9320697 | 0.78 | MAPT (0.60) | CYP1A1CYP1B1TTRCYP19A1TUBB4A | |
| SCHEMBL1743365 | 0.78 | CYP1A1 (1.00) | CYP1A1CYP1B1NQO2CYP1A2ABL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |