Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 6/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.40 |
| ▸ | WNK1 | Q9H4A3 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9512230 | 0.85 | VCAM1 (0.50) | VCAM1CA1CA2CA12CA9 | |
| SCHEMBL3813276 | 0.82 | VCAM1 (0.50) | VCAM1CA1CA2CA12CA9 | |
| SCHEMBL27752707 | 0.81 | ALDH1A1 (0.53) | VCAM1CA1CA2CA12CA9 | |
| SCHEMBL5925285 | 0.79 | MMP1 (0.65) | VCAM1CA1CA2MMP1MMP2 | |
| SCHEMBL31646963 | 0.79 | ALDH1A1 (0.56) | VCAM1CA1CA2CA12CA9 | |
| SCHEMBL5840098 | 0.79 | ALDH1A1 (0.56) | VCAM1CA1CA2CA12CA9 | |
| SCHEMBL1828638 | 0.78 | MAPT (0.51) | VCAM1CA1CA2MMP1MMP2 | |
| SCHEMBL17106 | 0.78 | ATM (0.58) | VCAM1CA1CA2CA12CA9 | |
| SCHEMBL2126401 | 0.77 | KMT2A (0.56) | VCAM1MAPK1WNK1POLBMAPT | |
| SCHEMBL4011062 | 0.76 | VCAM1 (0.39) | VCAM1CA1CA2CA12CA9 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170253607-A1 | LONG-ACTING HIV PROTEASE INHIBITOR | SHIONOGI & CO., LTD. (JP) | 2017-09-07 | — | — | US | disclosed |
| EP-3192794-A1 | SUSTAINED HIV PROTEASE INHIBITOR | Shionogi & Co., Ltd. (JP) | 2017-07-19 | — | — | EP | disclosed |
| US-20140088187-A1 | ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF | BETH ISRAEL DEACONESS MEDICAL CENTER (US) | 2014-03-27 | — | — | US | disclosed |
| US-20140088187-A1 | ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF | BETH ISRAEL DEACONESS MEDICAL CENTER (US) | 2014-03-27 | — | — | US | disclosed |
| US-20140088187-A1 | ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF | BETH ISRAEL DEACONESS MEDICAL CENTER (US) | 2014-03-27 | — | — | US | disclosed |
| EP-2651412-A2 | ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF | Beth Israel Deaconess Medical Center (US) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012082862-A2 | ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF | BETH ISRAEL DEACONESS MEDICAL CENTER (US) | 2012-06-21 | — | — | WO | disclosed |
| WO-2012082862-A2 | ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF | BETH ISRAEL DEACONESS MEDICAL CENTER (US) | 2012-06-21 | — | — | 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 (2 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-20170253607-A1 | LONG-ACTING HIV PROTEASE INHIBITOR | CPN1, HAT1, PRSS1 | VCAM1 2230/4885CA1 1597/4885CA2 879/4885 |
| US-20140088187-A1 | ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF | AR, NR5A1, ESRRB | VCAM1 2224/4885CA1 3250/4885CA2 2431/4885 |
“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.