Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.41 |
| ▸ | LTK | P29376 | 1/20 | 0.41 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1375428 | 1.00 | ALDH1A1 (0.52) | ALDH1A1MEN1LMNAMAPTTSHR | |
| SCHEMBL21429701 | 0.91 | ALDH1A1 (0.52) | ALDH1A1MEN1LMNAMAPTTSHR | |
| SCHEMBL1375762 | 0.90 | ALDH1A1 (0.42) | ALDH1A1MEN1LMNAMAPTTSHR | |
| SCHEMBL1373775 | 0.88 | ALDH1A1 (0.41) | ALDH1A1MEN1LMNAMAPTTSHR | |
| SCHEMBL2185475 | 0.87 | TSHR (0.43) | ALDH1A1MAPTTSHRS1PR1S1PR5 | |
| SCHEMBL1372212 | 0.87 | TSHR (0.43) | ALDH1A1MAPTTSHRS1PR1S1PR5 | |
| SCHEMBL21409110 | 0.84 | P2RX3 (0.43) | ALDH1A1MEN1HTTKMT2ANPSR1 | |
| SCHEMBL1372354 | 0.84 | P2RX3 (0.43) | ALDH1A1MEN1HTTKMT2ANPSR1 | |
| SCHEMBL2185184 | 0.84 | P2RX3 (0.43) | ALDH1A1MEN1HTTKMT2ANPSR1 | |
| SCHEMBL21409205 | 0.83 | NR1H2 (0.43) | ALDH1A1LMNAMAPTS1PR1S1PR5 |
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-2346821-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | Exelixis, Inc. (US) | 2011-07-27 | — | — | EP | disclosed |
| WO-2010045580-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | disclosed |