Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCA | P06881 | 6/20 | 0.43 |
| ▸ | TACR3 | P29371 | 7/20 | 0.41 |
| ▸ | KCNK3 | O14649 | 4/20 | 0.41 |
| ▸ | TACR2 | P21452 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6094100 | 1.00 | CALCA (0.43) | CALCATACR3KCNK3TACR2ALDH1A1 | |
| SCHEMBL6094202 | 0.91 | CALCA (0.46) | CALCATACR3 | |
| SCHEMBL6094110 | 0.91 | TACR3 (0.41) | TACR3KCNK3TACR2ALDH1A1KDM4E | |
| SCHEMBL6094529 | 0.91 | TACR3 (0.41) | TACR3KCNK3TACR2ALDH1A1KDM4E | |
| SCHEMBL6095823 | 0.88 | PHGDH (0.47) | CALCAALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL6095294 | 0.88 | PHGDH (0.47) | CALCAALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL6096398 | 0.85 | CALCA (0.49) | CALCA | |
| SCHEMBL6093545 | 0.82 | CALCA (0.63) | CALCAALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL6094206 | 0.82 | CALCA (0.39) | CALCATACR3ALDH1A1HTT | |
| SCHEMBL6093859 | 0.81 | CALCA (0.52) | CALCAKDM4ELMNATSHRHSD17B10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7135467-B2 | Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-11-14 | — | — | US | claimed |
| US-20040204498-A1 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2004-10-14 | — | — | US | claimed |
| US-7135467-B2 | Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-11-14 | — | — | US | disclosed |
| US-20040204498-A1 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2004-10-14 | — | — | 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-20040204498-A1 | HIV integrase inhibitors | IMPDH1, TYMP, REV1 | CALCA 4716/4885TACR3 4699/4885KCNK3 4677/4885 |
“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.