Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC9A1 | P19634 | 6/20 | 0.54 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1560158 | 0.97 | SLC9A1 (0.54) | SLC9A1RPS6KA3GAACYP2C9CYP2C19 | |
| SCHEMBL1560545 | 0.95 | GAA (0.55) | SLC9A1RPS6KA3GAACYP2C9CYP2C19 | |
| SCHEMBL3403852 | 0.77 | SLC9A1 (0.63) | SLC9A1RPS6KA3GAACYP2C9CYP2C19 | |
| SCHEMBL1560705 | 0.74 | SLC9A1 (0.49) | SLC9A1RPS6KA3CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL1560700 | 0.74 | SLC9A1 (0.49) | SLC9A1RPS6KA3CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL9618157 | 0.74 | RPS6KA3 (0.84) | SLC9A1RPS6KA3CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL4083657 | 0.74 | SLC9A1 (0.65) | SLC9A1RPS6KA3CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL5550585 | 0.74 | RPS6KA3 (0.64) | SLC9A1RPS6KA3GAACYP2C9CYP2C19 | |
| SCHEMBL13240370 | 0.73 | GRM2 (0.60) | SLC9A1ALDH1A1GRM2NPC1MAPT | |
| SCHEMBL2494163 | 0.72 | RPS6KA3 (0.77) | SLC9A1RPS6KA3GAACYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-8003785-B2 | Halo-substituted pyrimidodiazepines | TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) | 2011-08-23 | — | — | US | disclosed |
| US-20090318408-A1 | HALO-SUBSTITUTED PYRIMIDODIAZEPINES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-12-24 | — | — | 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-20090318408-A1 | HALO-SUBSTITUTED PYRIMIDODIAZEPINES | PLK1, CCNI, CDK1 | SLC9A1 1985/4885RPS6KA3 1289/4885GAA 2876/4885 |
“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.