Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | ELANE | P08246 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 3/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL9879071 | 0.89 | ALDH1A1 (0.61) | ALDH1A1CYP1A2CYP3A4ELANESMN1; SMN2 | |
| SCHEMBL9878005 | 0.86 | ALDH1A1 (0.65) | ALDH1A1CYP1A2CYP3A4ELANEKDM4E | |
| SCHEMBL9879835 | 0.85 | EGFR (0.48) | ELANESMN1; SMN2ACHEBCHE | |
| SCHEMBL9878432 | 0.85 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP3A4ELANESMN1; SMN2 | |
| SCHEMBL28005845 | 0.83 | ALDH1A1 (0.69) | ALDH1A1CYP1A2CYP3A4ELANEKDM4E | |
| SCHEMBL9878499 | 0.81 | ALDH1A1 (0.75) | ALDH1A1CYP1A2CYP3A4ELANEKDM4E | |
| SCHEMBL27820157 | 0.78 | ALDH1A1 (0.69) | ALDH1A1CYP1A2CYP3A4ELANEKDM4E | |
| SCHEMBL9877882 | 0.78 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP3A4ELANESMN1; SMN2 | |
| SCHEMBL16226679 | 0.78 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP3A4ELANEKDM4E | |
| SCHEMBL16226825 | 0.75 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP3A4ELANESMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4966918-A | ANTICARCINOGENIC AGENTS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1990-10-30 | — | — | US | claimed |
| US-5053431-A | Antitumor-anticarcinogenic agents | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1991-10-01 | — | — | US | disclosed |
| US-4966918-A | ANTICARCINOGENIC AGENTS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1990-10-30 | — | — | US | disclosed |
| WO-1990008759-A1 | DERIVATIVES OF CHRYSOPHANOL | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1990-08-09 | — | — | WO | disclosed |