Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA7 | P43166 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CA4 | P22748 | 1/20 | 0.49 |
| ▸ | CA6 | P23280 | 1/20 | 0.49 |
| ▸ | TPMT | P51580 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.46 |
| ▸ | TUBB | P07437 | 1/20 | 0.46 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.46 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.46 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.46 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL126301 | 0.81 | CA2 (0.76) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8169209 | 0.79 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| Trifluoroacetic Acid SCHEMBL4440333 | 0.78 | MAPK1 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9665607 | 0.76 | RAB9A (0.66) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11646840 | 0.76 | LTA4H (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8635216 | 0.76 | TUBB4A (0.50) | CA12CA1CA2CA7CA9 | |
| Trifluoroacetic Acid SCHEMBL7857968 | 0.75 | KDM4E (0.45) | CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL9509196 | 0.75 | TNFSF11 (0.55) | CA12CA1CA2CA7CA9 | |
| Trifluoroacetic Acid SCHEMBL7857882 | 0.75 | TDP1 (0.51) | SMN1; SMN2LMNAPOLBHPGDMAPK1 | |
| Trifluoroacetic Acid SCHEMBL6424557 | 0.74 | LDHA (0.53) | CA2CYP1A2CYP2C19ALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-6114310-A | THERAPY FOR MICROBIAL INFECTIONS | MICROCIDE PHARMACEUTICALS, INC. (US) | 2000-09-05 | — | — | US | disclosed |