Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 3/20 | 0.57 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.38 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.38 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.38 |
| ▸ | PARP11 | Q9NR21 | 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 | |
|---|---|---|---|---|
| SCHEMBL28139530 | 0.92 | ALDH1A1 (0.61) | PARP10PARP3ALDH1A1CYP2A6SMN1; SMN2 | |
| SCHEMBL8897038 | 0.82 | PARP10 (0.53) | PARP10ALDH1A1SMN1; SMN2HPGDTSHR | |
| SCHEMBL22407012 | 0.81 | HPGD (0.50) | PARP10ALDH1A1SMN1; SMN2HPGDTSHR | |
| SCHEMBL4598157 | 0.80 | ALDH1A1 (0.82) | PARP10PARP3ALDH1A1CYP2A6SMN1; SMN2 | |
| SCHEMBL5057415 | 0.79 | ALDH1A1 (0.46) | ALDH1A1TSHRMAPTKDM4E | |
| SCHEMBL29115834 | 0.78 | TAS1R3 (0.47) | ALDH1A1MAPTKDM4ECYP3A4 | |
| SCHEMBL4910445 | 0.78 | CA1 (0.59) | PARP10SMN1; SMN2RAB9AMAPTNPC1 | |
| SCHEMBL9325860 | 0.78 | ALDH1A1 (0.48) | PARP10ALDH1A1SMN1; SMN2HPGDTSHR | |
| SCHEMBL19828219 | 0.76 | HPGD (0.73) | PARP10PARP3ALDH1A1CYP2A6SMN1; SMN2 | |
| SCHEMBL10397006 | 0.76 | HPGD (0.73) | PARP10PARP3ALDH1A1CYP2A6SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112209896-B | Thiazolidinedione derivatives and pharmaceutical compositions containing the same | 苏州泽璟生物制药股份有限公司 | 2023-05-16 | — | — | CN | disclosed |