Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | CBS | P35520 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ADH1B | P00325 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 1/20 | 0.34 |
| ▸ | ADH7 | P40394 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9320706 | 0.81 | DRD2 (0.52) | CYP3A4 | |
| SCHEMBL2701814 | 0.79 | TMEM97 (0.55) | ADRB2LMNA | |
| SCHEMBL28157468 | 0.76 | CBS (0.50) | LTA4HCBSPTGS2CYP3A4ACHE | |
| SCHEMBL6652052 | 0.75 | CNR1 (0.44) | CYP3A4LMNAADH1BADH1AADH7 | |
| SCHEMBL8763412 | 0.75 | LMNA (0.50) | LMNAADH1BADH1AADH7 | |
| SCHEMBL6815570 | 0.75 | MAPT (0.59) | PTGS2CYP3A4ACHEADRB2LMNA | |
| SCHEMBL31076394 | 0.75 | MAPT (0.59) | PTGS2CYP3A4ACHEADRB2LMNA | |
| SCHEMBL5361823 | 0.72 | LMNA (0.36) | PTGS2ACHEADRB2LMNAADH1B | |
| SCHEMBL13093762 | 0.71 | TMEM97 (0.61) | LTA4HPTGS2CYP3A4ACHELMNA | |
| SCHEMBL10149325 | 0.71 | LTA4H (0.74) | LTA4HCBSPTGS2CYP3A4ACHE |
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 |