Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA4 | P22748 | 3/20 | 0.39 |
| ▸ | CA6 | P23280 | 3/20 | 0.39 |
| ▸ | CA5A | P35218 | 3/20 | 0.39 |
| ▸ | CA7 | P43166 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | F13A1 | P00488 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | THPO | P40225 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CASP2 | P42575 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12227392 | 1.00 | OPRM1 (0.40) | OPRM1CYP1A2CA12CA2CA4 | |
| SCHEMBL8851071 | 1.00 | OPRM1 (0.40) | OPRM1CYP1A2CA12CA2CA4 | |
| SCHEMBL342753 | 0.97 | OPRM1 (0.42) | OPRM1CYP1A2CA12CA2CA4 | |
| SCHEMBL14163238 | 0.93 | CA12 (0.48) | OPRM1CYP1A2CA12CA2CA4 | |
| SCHEMBL12227390 | 0.91 | CA12 (0.54) | CYP1A2CA12CA2CA4CA6 | |
| SCHEMBL6030226 | 0.91 | CA12 (0.56) | CYP1A2CA12CA2CA4CA6 | |
| SCHEMBL12652021 | 0.91 | ALDH1A1 (0.56) | OPRM1TSHRALDH1A1TP53ANPEP | |
| SCHEMBL6030318 | 0.91 | CA12 (0.56) | CYP1A2CA12CA2CA4CA6 | |
| SCHEMBL2241683 | 0.91 | ALDH1A1 (0.56) | OPRM1TSHRALDH1A1TP53ANPEP | |
| SCHEMBL14163247 | 0.91 | CA12 (0.54) | CYP1A2CA12CA2CA4CA6 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5719193-A | Method of potentiating cell-mediated immunity utilizing polyamine derivatives | MERRELL PHARMACEUTICALS, INC. (US) | 1998-02-17 | — | — | US | claimed |
| US-5654484-A | Polyamine derivatives as antineoplastic agents | MERRELL PHARMACEUTICALS INC. (US) | 1997-08-05 | — | — | US | claimed |
| EP-0311068-B1 | Polyamine derivatives as antineoplastic agents | MERRELL DOW PHARMA (US) | 1994-03-30 | — | — | EP | claimed |
| US-5719193-A | Method of potentiating cell-mediated immunity utilizing polyamine derivatives | MERRELL PHARMACEUTICALS, INC. (US) | 1998-02-17 | — | — | US | disclosed |
| US-5654484-A | Polyamine derivatives as antineoplastic agents | MERRELL PHARMACEUTICALS INC. (US) | 1997-08-05 | — | — | US | disclosed |
| EP-0662829-A1 | POLYAMINE DERIVATIVES AS ANTI-CYTOMEGALOVIRAL AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1995-07-19 | — | — | EP | disclosed |
| WO-1994007480-A1 | POLYAMINE DERIVATIVES AS ANTI-CYTOMEGALOVIRAL AGENTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-04-14 | — | — | WO | disclosed |
| EP-0311068-B1 | Polyamine derivatives as antineoplastic agents | MERRELL DOW PHARMA (US) | 1994-03-30 | — | — | EP | disclosed |
| EP-0399519-A2 | Potentiating cell-mediated immunity utilizing polyamine derivatives | MERRELL PHARMACEUTICALS INC. (US) | 1990-11-28 | — | — | EP | disclosed |
| EP-0311068-A2 | Polyamine derivatives as antineoplastic agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-04-12 | — | — | EP | disclosed |