Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | PKM | P14618 | 5/20 | 0.51 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.39 |
| ▸ | SOAT1 | P35610 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27852103 | 0.85 | ALDH1A1 (0.43) | ALDH1A1PKMHTTMAPTLMNA | |
| SCHEMBL16466030 | 0.84 | PKM (0.58) | ALDH1A1PKMHTTMAPTLMNA | |
| SCHEMBL27846260 | 0.81 | PKM (0.51) | ALDH1A1PKMHTTMAPTLMNA | |
| SCHEMBL11624815 | 0.79 | ALDH1A1 (0.49) | ALDH1A1PKMHTTMAPTLMNA | |
| SCHEMBL2041342 | 0.78 | PKM (0.42) | ALDH1A1PKMHTTMAPTLMNA | |
| SCHEMBL3559527 | 0.77 | — | — | |
| SCHEMBL27478065 | 0.77 | ALDH1A1 (0.43) | ALDH1A1PKMHTTMAPTLMNA | |
| SCHEMBL13370728 | 0.76 | ALDH1A1 (0.41) | ALDH1A1PKMHTTMAPTLMNA | |
| Hydrochloric Acid SCHEMBL27680690 | 0.76 | PKM (0.41) | ALDH1A1PKMHTTMAPTLMNA | |
| Hydrochloric Acid SCHEMBL28248957 | 0.76 | ALDH1A1 (0.48) | ALDH1A1PKMHTTMAPTLMNA |
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-1173468-A1 | INTEGRIN RECEPTOR ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-23 | — | — | EP | disclosed |
| WO-2000066618-A1 | INTEGRIN RECEPTOR ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-09 | — | — | WO | disclosed |