Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | HPGD | P15428 | 3/20 | 0.62 |
| ▸ | NPC1 | O15118 | 3/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.62 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5124093 | 0.85 | ALDH1A1 (0.75) | ALDH1A1HPGDNPC1SMN1; SMN2POLB | |
| SCHEMBL5129672 | 0.80 | ALDH1A1 (0.75) | ALDH1A1HPGDNPC1SMN1; SMN2POLB | |
| SCHEMBL7007582 | 0.77 | ALDH1A1 (0.65) | ALDH1A1HPGDNPC1SMN1; SMN2KDM4E | |
| SCHEMBL5124382 | 0.77 | KDM4E (0.70) | ALDH1A1HPGDNPC1SMN1; SMN2POLB | |
| SCHEMBL5119506 | 0.76 | PRKCI (0.57) | ALDH1A1HPGDNPC1SMN1; SMN2POLB | |
| SCHEMBL7013488 | 0.74 | ALDH1A1 (0.55) | ALDH1A1HPGDNPC1SMN1; SMN2POLB | |
| SCHEMBL7015902 | 0.74 | ALDH1A1 (0.43) | ALDH1A1HPGDSMN1; SMN2KDM4ELMNA | |
| SCHEMBL7016074 | 0.72 | MEN1 (0.47) | ALDH1A1HPGDNPC1SMN1; SMN2POLB | |
| SCHEMBL5116127 | 0.72 | ALDH1A1 (0.57) | ALDH1A1HPGDNPC1SMN1; SMN2POLB | |
| SCHEMBL5816391 | 0.71 | ALDH1A1 (0.61) | ALDH1A1HPGDNPC1SMN1; SMN2POLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-1458933-A | Thienopyrimidine compounds and their salts and process for preparation of both | NIPPON SODA CO (JP) | 2003-11-26 | — | — | CN | disclosed |
| EP-1329454-A1 | THIENOPYRIMIDINE COMPOUNDS AND THEIR SALTS AND PROCESS FOR PREPARATION OF BOTH | NIPPON SODA CO., LTD. (JP) | 2003-07-23 | — | — | EP | disclosed |