Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | GRM1 | Q13255 | 6/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.34 |
| ▸ | F13A1 | P00488 | 1/20 | 0.33 |
| ▸ | TGM2 | P21980 | 1/20 | 0.33 |
| ▸ | TGM1 | P22735 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15273566 | 0.92 | CYP3A4 (0.36) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9914967 | 0.88 | CYP3A4 (0.51) | GRM5ALDH1A1SMN1; SMN2NPSR1TSHR | |
| SCHEMBL9914938 | 0.85 | CYP3A4 (0.38) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9914973 | 0.85 | CYP3A4 (0.33) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9914929 | 0.84 | CYP3A4 (0.40) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9914950 | 0.84 | CYP3A4 (0.37) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9286142 | 0.83 | CYP3A4 (0.39) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL15273565 | 0.83 | CYP3A4 (0.39) | ALDH1A1TSHRCYP3A4CYP1A2CYP2C8 | |
| SCHEMBL9914932 | 0.83 | CYP3A4 (0.39) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9914949 | 0.83 | CYP3A4 (0.40) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2646439-B1 | ALKYL AMIDES AS HIV ATTACHMENT INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2016-05-25 | — | — | EP | disclosed |
| US-8912195-B2 | Alkyl amides as HIV attachment inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-12-16 | — | — | US | disclosed |
| US-8912195-B2 | Alkyl amides as HIV attachment inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-12-16 | — | — | US | disclosed |
| US-20130252968-A1 | ALKYL AMIDES AS HIV ATTACHMENT INHIBITORS | VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) | 2013-09-26 | — | — | US | disclosed |
| US-20130252968-A1 | ALKYL AMIDES AS HIV ATTACHMENT INHIBITORS | VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) | 2013-09-26 | — | — | US | disclosed |
| WO-2012075235-A1 | ALKYL AMIDES AS HIV ATTACHMENT INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-06-07 | — | — | WO | 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-20130252968-A1 | ALKYL AMIDES AS HIV ATTACHMENT INHIBITORS | NAPA, ASNS, CD4 | GRM5 3152/4885ALDH1A1 542/4885SMN1; SMN2 4561/4885 |
“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.