Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | ATM | Q13315 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.53 |
| ▸ | SHBG | P04278 | 1/20 | 0.53 |
| ▸ | FYN | P06241 | 1/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.53 |
| ▸ | HTR2B | P41595 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8656096 | 0.92 | ESR1 (0.49) | ESR1ADORA3SMN1; SMN2ATMLMNA | |
| Atrimustine SCHEMBL10580413 | 0.90 | LMNA (0.56) | ESR1ADORA3SMN1; SMN2ATMLMNA | |
| Atrimustine SCHEMBL29359877 | 0.90 | LMNA (0.56) | ESR1ADORA3SMN1; SMN2ATMLMNA | |
| Atrimustine SCHEMBL8659 | 0.90 | LMNA (0.56) | ESR1ADORA3SMN1; SMN2ATMLMNA | |
| SCHEMBL8836343 | 0.85 | LMNA (0.58) | ESR1ADORA3SMN1; SMN2ATMLMNA | |
| SCHEMBL9319675 | 0.81 | LMNA (0.56) | ESR1ADORA3SMN1; SMN2ATMLMNA | |
| SCHEMBL8835854 | 0.81 | LMNA (0.56) | ESR1ADORA3SMN1; SMN2ATMLMNA | |
| SCHEMBL8615788 | 0.80 | KMT2A (0.44) | ESR1ADORA3SMN1; SMN2ATMLMNA | |
| SCHEMBL8621073 | 0.80 | MAPT (0.46) | ESR1ADORA3SMN1; SMN2ATMLMNA | |
| SCHEMBL8619796 | 0.80 | LMNA (0.69) | ESR1ADORA3SMN1; SMN2ATMLMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0573977-B1 | Novel estradiol derivative-chlorambucil conjugate, process for preparing the same, and pharmaceutical composition | KUREHA CHEMICAL IND CO LTD (JP) | 1998-05-13 | — | — | EP | disclosed |
| EP-0573977-A2 | Novel estradiol derivative-chlorambucil conjugate, process for preparing the same, and pharmaceutical composition | KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) | 1993-12-15 | — | — | EP | disclosed |