Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.47 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | P2RX1 | P51575 | 2/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | RHOC | P08134 | 1/20 | 0.37 |
| ▸ | RHOA | P61586 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6553829 | 1.00 | CES2 (0.48) | CES2NOTUMNR4A1NR4A2NR4A3 | |
| SCHEMBL7961166 | 0.84 | NPSR1 (0.55) | CES2GAAMAPTALDH1A1LMNA | |
| SCHEMBL7961170 | 0.84 | NPSR1 (0.55) | CES2GAAMAPTALDH1A1LMNA | |
| SCHEMBL8047986 | 0.83 | NR4A1 (0.68) | CES2NR4A1NR4A2NR4A3MAPT | |
| SCHEMBL6554660 | 0.75 | TPMT (0.43) | MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL6554658 | 0.75 | TPMT (0.43) | MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL1999038 | 0.74 | NOTUM (0.77) | CES2NOTUMGAAMAPTALDH1A1 | |
| SCHEMBL5779119 | 0.74 | CES2 (0.44) | CES2NOTUMGAAMAPTALDH1A1 | |
| SCHEMBL96116 | 0.72 | CES2 (0.67) | CES2NOTUMGAAMAPTP2RX1 | |
| SCHEMBL6553777 | 0.72 | CES2 (0.50) | CES2NOTUMNR4A1NR4A2NR4A3 |
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-1149067-B1 | 7-ARYL-6(Z)HEPTATRIENOIC ACID RETINAMIDES AS APOPTOSIS INDUCING COMPOUNDS AND THEIR USE AS ANTI-CANCER AGENTS | HOFFMANN LA ROCHE (CH) | 2004-02-25 | — | — | EP | disclosed |
| EP-1149067-A1 | 7-ARYL-6(Z)HEPTATRIENOIC ACID RETINAMIDES AS APOPTOSIS INDUCING COMPOUNDS AND THEIR USE AS ANTI-CANCER AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-10-31 | — | — | EP | disclosed |
| US-6310247-B1 | HAS APOPTOTIC ACTIVITY USEFUL FOR PROPHYLAXIS AND THERAPY OF CANCER | HOFFMANN-LA ROCHE INC. | 2001-10-30 | — | — | US | disclosed |
| WO-2000035856-A1 | 7-ARYL-6(Z)HEPTATRIENOIC ACID RETINAMIDES AS APOPTOSIS INDUCING COMPOUNDS AND THEIR USE AS ANTI-CANCER AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-06-22 | — | — | WO | disclosed |