Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.79 |
| ▸ | P2RX7 | Q99572 | 5/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | F2 | P00734 | 6/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | F10 | P00742 | 2/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.47 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | F12 | P00748 | 1/20 | 0.45 |
| ▸ | F7 | P08709 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7047070 | 0.88 | ALDH1A1 (0.64) | ALDH1A1P2RX7LMNANPSR1F2 | |
| SCHEMBL7049069 | 0.85 | ALDH1A1 (0.59) | ALDH1A1LMNANPSR1F2SMN1; SMN2 | |
| SCHEMBL30924055 | 0.83 | EPHX2 (0.58) | ALDH1A1P2RX7 | |
| SCHEMBL5901213 | 0.83 | ALDH1A1 (0.55) | ALDH1A1LMNANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL3931937 | 0.82 | ALDH1A1 (0.56) | ALDH1A1LMNANPSR1F2SMN1; SMN2 | |
| SCHEMBL21520159 | 0.80 | ALDH1A1 (0.52) | ALDH1A1LMNANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL21520161 | 0.80 | ALDH1A1 (0.52) | ALDH1A1LMNANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL13111226 | 0.79 | ALDH1A1 (0.51) | ALDH1A1LMNANPSR1F2SMN1; SMN2 | |
| SCHEMBL21545096 | 0.79 | ALDH1A1 (0.69) | ALDH1A1P2RX7LMNANPSR1SMN1; SMN2 | |
| SCHEMBL18573086 | 0.79 | ALDH1A1 (0.69) | ALDH1A1P2RX7LMNANPSR1SMN1; SMN2 |
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-0773955-B1 | NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE | BASF AG (DE) | 2003-04-16 | — | — | EP | disclosed |
| EP-0773955-A1 | NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE | BASF AKTIENGESELLSCHAFT (DE) | 1997-05-21 | — | — | EP | disclosed |
| WO-1995035309-A1 | NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE | BASF AKTIENGESELLSCHAFT (DE) | 1995-12-28 | — | — | WO | disclosed |