Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.39 |
| ▸ | SQLE | Q14534 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10967647 | 1.00 | CYP3A4 (0.41) | CYP3A4MEN1ALOX15KMT2APTPN1 | |
| SCHEMBL10967515 | 0.85 | SQLE (0.42) | CYP3A4MEN1ALOX15KMT2AALDH1A1 | |
| SCHEMBL10967512 | 0.85 | SQLE (0.42) | CYP3A4MEN1ALOX15KMT2AALDH1A1 | |
| SCHEMBL10639634 | 0.83 | ALDH1A1 (0.31) | CYP3A4ALDH1A1TDP1LMNA | |
| SCHEMBL10639638 | 0.83 | ALDH1A1 (0.31) | CYP3A4ALDH1A1TDP1LMNA | |
| SCHEMBL11549585 | 0.81 | PTPN1 (0.39) | CYP3A4MEN1ALOX15KMT2APTPN1 | |
| SCHEMBL11549588 | 0.81 | PTPN1 (0.39) | CYP3A4MEN1ALOX15KMT2APTPN1 | |
| SCHEMBL11546263 | 0.80 | PTPN1 (0.41) | CYP3A4MEN1ALOX15KMT2APTPN1 | |
| SCHEMBL11546257 | 0.80 | PTPN1 (0.41) | CYP3A4MEN1ALOX15KMT2APTPN1 | |
| SCHEMBL11708260 | 0.79 | KDM1A (0.40) | CYP3A4ALOX15KMT2AALDH1A1SQLE |
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 |
|---|---|---|---|---|---|---|---|
| US-4562292-A | INHIBITORS OF HYDROLYTIC ENZYMES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1985-12-31 | — | — | US | disclosed |
| US-4137273-A | INSECTICIDES, CHEMICAL INTERMEDIATES | ZOECON CORPORATION (US) | 1979-01-30 | — | — | US | disclosed |
| US-3953524-A | Catalytic hydrogenation of alpha,beta-unsaturated aldehydes to alpha,beta-unsaturated alcohols | HOFFMANN-LA ROCHE INC. (US) | 1976-04-27 | — | — | US | disclosed |