Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | F2 | P00734 | 3/20 | 0.52 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.52 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.52 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7701432 | 1.00 | ALDH1A1 (0.54) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL7705147 | 0.95 | ALDH1A1 (0.51) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| Dimethylamine SCHEMBL7699289 | 0.84 | ALDH1A1 (0.61) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL6151579 | 0.82 | F2 (0.56) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL2770856 | 0.81 | F2 (0.55) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL2770857 | 0.81 | F2 (0.55) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL7704003 | 0.81 | F2 (0.58) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL7699296 | 0.81 | F2 (0.50) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| Hydrochloric Acid SCHEMBL7701431 | 0.80 | F2 (0.56) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| Dimethylamine SCHEMBL7705458 | 0.80 | ALDH1A1 (0.56) | ALDH1A1RAB9AMEN1KMT2AHTT |
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-1208109-A2 | NUCLEOSIDE ANALOGUES | NYCOMED AMERSHAM PLC (GB) | 2002-05-29 | — | — | EP | disclosed |
| WO-2001016150-A2 | NUCLEOSIDE ANALOGUES | AMERSHAM PLC (GB) | 2001-03-08 | — | — | WO | disclosed |