Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28802640 | 0.77 | ALDH1A1 (0.46) | ALDH1A1RAB9ASMN1; SMN2PRKCQ | |
| SCHEMBL28081097 | 0.76 | TSHR (0.44) | ALDH1A1LMNAMAPTTDP1SMN1; SMN2 | |
| SCHEMBL14641049 | 0.76 | PIN1 (0.40) | ALDH1A1LMNAMAPTHTTRAB9A | |
| SCHEMBL2632674 | 0.72 | ALDH1A1 (0.41) | ALDH1A1LMNAMAPTHTTRAB9A | |
| SCHEMBL27088207 | 0.70 | USP1 (0.40) | — | |
| SCHEMBL5789457 | 0.68 | HASPIN (0.44) | ALDH1A1LMNAMAPTHTTRAB9A | |
| SCHEMBL2950586 | 0.68 | LMNA (0.42) | ALDH1A1LMNAMAPTHTTRAB9A | |
| SCHEMBL1414668 | 0.68 | DHFR (0.53) | ALDH1A1LMNAMAPTHTTRAB9A | |
| SCHEMBL27258254 | 0.67 | TDP1 (0.42) | ALDH1A1LMNAMAPTHTTRAB9A | |
| SCHEMBL1194395 | 0.65 | PIN1 (0.52) | PIN1 |
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-105814056-B | purine derivatives as modulators of TNF activity | UCB生物制药私人有限公司 | 2017-10-10 | — | — | CN | disclosed |
| CN-105814056-A | Purine derivatives as modulators of TNF activity | UCB生物制药私人有限公司 | 2016-07-27 | — | — | CN | disclosed |