Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | ANPEP | P15144 | 1/20 | 0.36 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | F13A1 | P00488 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CA6 | P23280 | 2/20 | 0.36 |
| ▸ | CA5A | P35218 | 2/20 | 0.36 |
| ▸ | THPO | P40225 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8510461 | 0.94 | ALDH1A1 (0.54) | TSHRALDH1A1ANPEPERAP2S1PR2 | |
| SCHEMBL31139219 | 0.92 | CA12 (0.50) | TSHRCYP2C19CYP1A2MEN1KMT2A | |
| SCHEMBL25989954 | 0.91 | TSHR (0.56) | TSHRALDH1A1CYP2C19CYP1A2ANPEP | |
| SCHEMBL433529 | 0.91 | CYP2C19 (0.36) | TSHRALDH1A1CYP2C19CYP1A2MEN1 | |
| SCHEMBL28111017 | 0.90 | HRH3 (0.39) | TSHRALDH1A1CYP2C19MEN1KMT2A | |
| SCHEMBL19214781 | 0.88 | TSHR (0.46) | TSHRALDH1A1CYP2C19CYP1A2ANPEP | |
| SCHEMBL14163240 | 0.86 | CA12 (0.50) | TSHRALDH1A1CYP2C19CYP1A2MEN1 | |
| SCHEMBL3158951 | 0.85 | CA12 (0.48) | TSHRCYP2C19CYP1A2MEN1KMT2A | |
| SCHEMBL28855173 | 0.85 | HRH3 (0.33) | TSHRALDH1A1CYP2C19CYP1A2MEN1 | |
| Ammonia Solution, Strong SCHEMBL6723792 | 0.85 | CA12 (0.48) | TSHRALDH1A1CYP2C19CYP1A2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0311068-B1 | Polyamine derivatives as antineoplastic agents | MERRELL DOW PHARMA (US) | 1994-03-30 | — | — | EP | claimed |
| US-5654484-A | Polyamine derivatives as antineoplastic agents | MERRELL PHARMACEUTICALS INC. (US) | 1997-08-05 | — | — | US | disclosed |
| EP-0311068-B1 | Polyamine derivatives as antineoplastic agents | MERRELL DOW PHARMA (US) | 1994-03-30 | — | — | EP | disclosed |
| EP-0311068-A2 | Polyamine derivatives as antineoplastic agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-04-12 | — | — | EP | disclosed |