Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1680143 | 0.82 | MEN1 (0.35) | HDAC1HDAC6HDAC3HDAC2NCOR2 | |
| SCHEMBL11386 | 0.79 | HDAC3 (0.39) | HDAC1HDAC6HDAC3HDAC2NCOR2 | |
| SCHEMBL1683 | 0.74 | CYP1A2 (0.43) | TP53HTTMAPTCYP1A2CYP3A4 | |
| SCHEMBL1652 | 0.72 | CYP1A2 (0.41) | HDAC1TP53MAPTCYP1A2CYP3A4 | |
| SCHEMBL27886960 | 0.71 | EDNRB (0.45) | TP53HTTMAPTCYP1A2CYP3A4 | |
| SCHEMBL1279 | 0.70 | CYP1A2 (0.43) | TP53HTTMAPTCYP1A2CYP3A4 | |
| SCHEMBL4477 | 0.70 | MEN1 (0.33) | TP53HTTMAPTCYP1A2CYP3A4 | |
| SCHEMBL1606639 | 0.70 | CYP1A2 (0.40) | TP53HTTMAPTCYP1A2CYP3A4 | |
| SCHEMBL14785 | 0.70 | MEN1 (0.33) | TP53HTTMAPTCYP1A2CYP3A4 | |
| SCHEMBL1185 | 0.69 | CYP1A2 (0.44) | TP53HTTMAPTCYP1A2CYP3A4 |
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-2483269-A2 | POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | Amira Pharmaceuticals, Inc. (US) | 2012-08-08 | — | — | EP | disclosed |
| EP-2483251-A2 | POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | Amira Pharmaceuticals, Inc. (US) | 2012-08-08 | — | — | EP | disclosed |
| WO-2011041461-A2 | POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | AMIRA PHARMACEUTICALS, INC. (US) | 2011-04-07 | — | — | WO | disclosed |
| WO-2011041462-A2 | POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | AMIRA PHARMACEUTICALS, INC. (US) | 2011-04-07 | — | — | WO | disclosed |