Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 7/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.43 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | MMP7 | P09237 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6821 | 0.90 | AKR1C3 (0.46) | AKR1C3LPAR1ALDH1A1 | |
| SCHEMBL6491 | 0.85 | LPAR1 (0.53) | AKR1C3LPAR1MMP1MMP2MMP3 | |
| SCHEMBL7106 | 0.84 | P2RX7 (0.46) | AKR1C3TSHRFAAHPLAAT3PLAAT5 | |
| SCHEMBL7158 | 0.80 | TSHR (0.58) | AKR1C3TSHRFAAHL3MBTL1MAPT | |
| SCHEMBL18597680 | 0.80 | ALDH1A1 (0.50) | LPAR1TSHRL3MBTL1ALDH1A1 | |
| SCHEMBL5869 | 0.80 | ALDH1A1 (0.50) | LPAR1TSHRL3MBTL1ALDH1A1 | |
| SCHEMBL7013 | 0.80 | ALDH1A1 (0.50) | LPAR1TSHRL3MBTL1ALDH1A1 | |
| SCHEMBL1347 | 0.78 | KMT2A (0.43) | AKR1C3HDAC1TSHRMAPT | |
| SCHEMBL2072 | 0.78 | ALDH1A1 (0.46) | AKR1C3LPAR1TSHRL3MBTL1ALDH1A1 | |
| SCHEMBL343051 | 0.77 | LPAR1 (0.56) | LPAR1TSHRALDH1A1MAPTHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2483252-A2 | COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | Amira Pharmaceuticals, Inc. (US) | 2012-08-08 | — | — | EP | disclosed |
| WO-2011041694-A2 | COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | AMIRA PHARMACEUTICALS, INC. (US) | 2011-04-07 | — | — | WO | disclosed |