Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | CES2 | O00748 | 2/20 | 0.34 |
| ▸ | CES1 | P23141 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.32 |
| ▸ | XPO1 | O14980 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8304732 | 0.75 | PARP1 (0.42) | PARP1HDAC6CES2CES1HDAC1 | |
| Fumaric Acid SCHEMBL8304091 | 0.74 | KAT6A (0.39) | PARP1HDAC6CES2CES1HDAC1 | |
| Fumaric Acid SCHEMBL8304095 | 0.74 | KAT6A (0.39) | PARP1HDAC6CES2CES1HDAC1 | |
| SCHEMBL30733925 | 0.65 | POLB (0.57) | PARP1HDAC6CES2CES1HDAC1 | |
| SCHEMBL1258944 | 0.62 | CES2 (0.74) | PARP1HDAC6CES2CES1HDAC1 | |
| SCHEMBL10366987 | 0.61 | ALDH1A1 (0.51) | CYP2D6CYP2C9CYP2C19NPC1RAB9A | |
| SCHEMBL2705684 | 0.60 | CES2 (0.71) | PARP1HDAC6CES2CES1HDAC1 | |
| Hydrochloric Acid SCHEMBL27733562 | 0.60 | CES2 (0.71) | PARP1HDAC6CES2CES1HDAC1 | |
| Bromide SCHEMBL10374448 | 0.60 | GAA (0.37) | CES2CES1POLB | |
| SCHEMBL27004440 | 0.59 | POLB (0.53) | HDAC6CES2CES1HDAC1POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0582182-B1 | 1-Aminoacetamidopyrroles and 1-amino-2-(substituted) pyrroles and their use for the treatment of neurodegenerative dysfunctions | HOECHST MARION ROUSSEL INC (US) | 1999-10-20 | — | — | EP | claimed |
| EP-0582182-B1 | 1-Aminoacetamidopyrroles and 1-amino-2-(substituted) pyrroles and their use for the treatment of neurodegenerative dysfunctions | HOECHST MARION ROUSSEL INC (US) | 1999-10-20 | — | — | EP | disclosed |
| EP-0582182-A1 | 1-Aminoacetamidopyrroles and 1-amino-2-(substituted) pyrroles and their use for the treatment of neurodegenerative dysfunctions | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1994-02-09 | — | — | EP | disclosed |