Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.75 |
| ▸ | TSHR | P16473 | 1/20 | 0.75 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.75 |
| ▸ | MAOB | P27338 | 1/20 | 0.75 |
| ▸ | MEN1 | O00255 | 1/20 | 0.73 |
| ▸ | BLM | P54132 | 1/20 | 0.73 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.73 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.66 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.66 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.66 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.66 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.66 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.66 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.66 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.66 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.66 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.66 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.66 |
| ▸ | NAMPT | P43490 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL27956896 | 1.00 | CYP1A2 (0.75) | CYP1A2TSHRNFKB1MAOBMEN1 | |
| SCHEMBL6859638 | 0.93 | CYP1A2 (0.80) | CYP1A2TSHRNFKB1MAOBMEN1 | |
| SCHEMBL9491749 | 0.91 | HDAC3 (0.76) | CYP1A2TSHRNFKB1MAOBMEN1 | |
| SCHEMBL26709560 | 0.91 | MAPK1 (0.65) | CYP1A2TSHRNFKB1MAOBMEN1 | |
| SCHEMBL12960847 | 0.91 | MAPK1 (0.65) | CYP1A2TSHRNFKB1MAOBMEN1 | |
| SCHEMBL3523157 | 0.89 | MAPK1 (0.61) | CYP1A2TSHRNFKB1MAOBMEN1 | |
| SCHEMBL3506361 | 0.86 | MAOB (1.00) | CYP1A2TSHRNFKB1MAOBMEN1 | |
| SCHEMBL7010165 | 0.85 | HDAC3 (0.68) | CYP1A2TSHRNFKB1MAOBMEN1 | |
| SCHEMBL7008066 | 0.85 | HDAC3 (0.68) | CYP1A2TSHRNFKB1MAOBMEN1 | |
| SCHEMBL13566561 | 0.85 | MAPK1 (0.62) | CYP1A2TSHRNFKB1MAOBMEN1 |
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-0984938-B1 | CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS | LEO PHARMA AS WITH SECONDARY N (DK) | 2003-09-10 | — | — | EP | disclosed |
| US-6346541-B1 | ANTITUMOR AND ANTICARCINOGENIC AGENTS FOR BREAST, LUNG, AND SKIN CANCER | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) | 2002-02-12 | — | — | US | disclosed |
| EP-0984938-A1 | CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) | 2000-03-15 | — | — | EP | disclosed |
| WO-1998054144-A1 | CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS | Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) | 1998-12-03 | — | — | WO | disclosed |