Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 6/20 | 0.33 |
| ▸ | PDE4A | P27815 | 4/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | PNP | P00491 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KDM4A | O75164 | 1/20 | 0.30 |
| ▸ | KDM4B | O94953 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22487750 | 0.79 | HPGD (0.42) | CYP1A2CYP2D6XDHADORA2AADORA2B | |
| SCHEMBL1993929 | 0.73 | ADORA2A (0.40) | CYP1A2CYP2D6XDHPDE4AADORA2A | |
| SCHEMBL12900055 | 0.73 | PARP1 (0.41) | XDHADORA2AHPGDACHEGDA | |
| SCHEMBL1992700 | 0.68 | PARP1 (0.41) | CYP1A2CYP2D6XDHADORA2AADORA2B | |
| SCHEMBL20830316 | 0.67 | TSHR (0.39) | CYP1A2CYP2D6XDHPDE4AADORA2A | |
| SCHEMBL3941170 | 0.65 | ACHE (0.40) | CYP1A2CYP2D6XDHADORA2AADORA3 | |
| SCHEMBL10518128 | 0.65 | ALDH1A1 (0.53) | XDHADORA2AADORA3HPGDPNP | |
| SCHEMBL22487730 | 0.64 | ACHE (0.37) | CYP1A2CYP2D6XDHADORA2AADORA2B | |
| SCHEMBL24859763 | 0.64 | METAP2 (0.37) | HSD17B10 | |
| SCHEMBL27063558 | 0.63 | NOS1 (0.31) | HPGDHSD17B10KDM4E |
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-20200308165-A1 | Compounds as Ras Inhibitors and Use Thereof | D. E. SHAW RESEARCH, LLC | 2020-10-01 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20200308165-A1 | Compounds as Ras Inhibitors and Use Thereof | KRAS, NRAS, HRAS | CYP1A2 2350/4885CYP2D6 1005/4885XDH 3651/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.