Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | MMP2 | P08253 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25755234 | 0.92 | CA2 (0.47) | EPHX2CA2CA12CA1MMP2 | |
| SCHEMBL3107097 | 0.90 | CA12 (0.54) | EPHX2CA2CA12CA1MMP2 | |
| SCHEMBL26252000 | 0.81 | EPHX2 (0.43) | EPHX2CA2CA12CA1MMP2 | |
| SCHEMBL958597 | 0.77 | CA2 (0.46) | CA2CA12CA1MMP2CA9 | |
| Hydrochloric Acid SCHEMBL29891850 | 0.75 | MLYCD (0.44) | CA2CA12CA1MMP2CA9 | |
| SCHEMBL26889218 | 0.75 | CA2 (0.32) | CA2KMT2AESR1KCNH2 | |
| SCHEMBL8467430 | 0.75 | SCN8A (0.33) | HTT | |
| SCHEMBL15116456 | 0.73 | CA12 (0.53) | EPHX2CA2CA12CA1MMP2 | |
| SCHEMBL23052075 | 0.73 | — | — | |
| SCHEMBL21813769 | 0.73 | — | — |
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-2023180976-A1 | INDAZOLES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS AND METHODS FOR USING SAME | 1ST Biotherapeutics, Inc. (KR) | 2023-09-28 | — | — | WO | disclosed |
| WO-2023109926-A1 | SPIROOXINDOLE COMPOUND AND USE THEREOF IN PREPARATION OF PROTEASE INHIBITOR AS ANTIVIRAL DRUG | 南京药石科技股份有限公司 | 2023-06-22 | — | — | WO | disclosed |