Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 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 | |
|---|---|---|---|---|
| Phenol SCHEMBL11797218 | 1.00 | CA12 (0.50) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL28770460 | 0.87 | CA12 (0.46) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL28062615 | 0.86 | CA12 (0.37) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL27919347 | 0.85 | CA12 (0.69) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL11599021 | 0.83 | CA12 (0.65) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL5874295 | 0.83 | CA12 (0.65) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL10791213 | 0.83 | CA12 (0.65) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL10791210 | 0.83 | CA12 (0.65) | CA12CA1CA2GLACA3 | |
| Morpholine SCHEMBL11131231 | 0.81 | MEN1 (0.42) | MEN1KMT2AKDM4EGAACYP2C9 | |
| Phenol SCHEMBL27280139 | 0.80 | CA12 (0.61) | CA12CA1CA2GLACA3 |
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-112996493-A | Electrophiles and electrophiles as RAD51 inhibitors | 高等教育联邦系统-匹兹堡大学 | 2021-06-18 | — | — | CN | disclosed |