Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 5/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18125074 | 0.86 | CHRNB2 (0.46) | ALDH1A1TSHRCHRM2CHRM4CHRM5 | |
| SCHEMBL25565603 | 0.85 | ALDH1A1 (0.50) | ALDH1A1ATMTSHRHPGDCHRM2 | |
| SCHEMBL14138540 | 0.85 | ALDH1A1 (0.50) | ALDH1A1ATMTSHRHPGDCHRM2 | |
| SCHEMBL5044760 | 0.83 | ALDH1A1 (0.48) | ALDH1A1ATMTSHRHPGDCHRM2 | |
| SCHEMBL28439685 | 0.82 | FAAH (0.49) | MAPTLMNACYP1A2CYP2C19 | |
| SCHEMBL8908162 | 0.82 | CHRNB2 (0.58) | ALDH1A1ATMTSHRHPGDCHRM2 | |
| SCHEMBL24441009 | 0.82 | CHRNB2 (0.39) | ALDH1A1TSHRCHRM2CHRM4CHRM5 | |
| SCHEMBL2291415 | 0.82 | ALDH1A1 (0.47) | ALDH1A1ATMTSHRHPGDCHRM2 | |
| SCHEMBL1650042 | 0.82 | CHRNB2 (0.57) | ALDH1A1ATMTSHRHPGDCHRM2 | |
| SCHEMBL30195730 | 0.80 | ALDH1A1 (0.45) | ALDH1A1ATMTSHRHPGDCHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022100625-A1 | NITROGEN-SUBSTITUTED AMINOCARBONATE THIOPHENE COMPOUND AND USE THEREOF | 武汉人福创新药物研发中心有限公司 | 2022-05-19 | — | — | WO | disclosed |
| WO-2014151958-A1 | BETA-LACTAMASE INHIBITORS | VenatoRx Pharmaceuticals, Inc. (US) | 2014-09-25 | — | — | WO | disclosed |