Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.53 |
| ▸ | CA1 | P00915 | 5/20 | 0.53 |
| ▸ | CA2 | P00918 | 5/20 | 0.53 |
| ▸ | CA9 | Q16790 | 5/20 | 0.53 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.52 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 2/20 | 0.45 |
| ▸ | ITK | Q08881 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21160682 | 0.96 | CA12 (0.54) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL17687929 | 0.93 | CA12 (0.49) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL20100194 | 0.92 | CA12 (0.56) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL29856376 | 0.92 | CA12 (0.56) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL17687916 | 0.90 | CA12 (0.50) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL18544334 | 0.86 | CA12 (0.55) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL17687973 | 0.85 | CA12 (0.44) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL23729233 | 0.84 | CA12 (0.57) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL3361899 | 0.84 | CA12 (0.64) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL30441709 | 0.84 | CA12 (0.57) | CA12CA1CA2CA9PDK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020132566-A1 | STING PYRAZOLE AGONISTS AND USES THEREOF | NIMBUS TITAN, INC. (US) | 2020-06-25 | — | — | WO | disclosed |
| WO-2020132566-A1 | STING PYRAZOLE AGONISTS AND USES THEREOF | NIMBUS TITAN, INC. (US) | 2020-06-25 | — | — | WO | disclosed |
| US-5739163-A | ANTICOAGULANTS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-04-14 | — | — | US | disclosed |