Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.44 |
| ▸ | PTPN5 | P54829 | 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 | |
|---|---|---|---|---|
| SCHEMBL12217604 | 0.86 | ALDH1A1 (0.51) | ALDH1A1POLBHSP90AA1HSP90AB1TSHR | |
| SCHEMBL2378904 | 0.85 | ALDH1A1 (0.56) | ALDH1A1POLBHTTAKR1C3NAMPT | |
| SCHEMBL12217821 | 0.84 | KMT2A (0.60) | ALDH1A1POLBMAPTHSP90AA1HSP90AB1 | |
| SCHEMBL10211716 | 0.81 | ALDH1A1 (0.69) | ALDH1A1POLBAKR1C3NAMPTKDM4E | |
| SCHEMBL12217587 | 0.81 | HPGD (0.64) | ALDH1A1POLBHTTTSHRTP53 | |
| SCHEMBL12217590 | 0.81 | HPGD (0.59) | ALDH1A1POLBHTTHSP90AA1HSP90AB1 | |
| SCHEMBL10242018 | 0.79 | HPGD (0.65) | ALDH1A1POLBHTTTSHRTP53 | |
| SCHEMBL12286133 | 0.79 | HPGD (0.64) | ALDH1A1POLBHTTAKR1C3KDM4E | |
| SCHEMBL12218522 | 0.79 | KMT2A (0.61) | ALDH1A1POLBTSHRTP53HPGD | |
| SCHEMBL12217764 | 0.78 | ALDH1A1 (0.56) | ALDH1A1HTTAKR1C3HSP90AA1HSP90AB1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8039638-B2 | Inhibitors of HIV replication | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-10-18 | — | — | US | disclosed |
| US-8039638-B2 | Inhibitors of HIV replication | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-10-18 | — | — | US | disclosed |
| US-20100069353-A1 | INHIBITORS OF HIV REPLICATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-03-18 | — | — | US | disclosed |
| US-20100069353-A1 | INHIBITORS OF HIV REPLICATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-03-18 | — | — | US | disclosed |
| WO-2008067644-A1 | INHIBITORS OF HIV REPLICATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-06-12 | — | — | 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-20100069353-A1 | INHIBITORS OF HIV REPLICATION | RTF2, REV1, CCNT1 | ALDH1A1 3455/4885POLB 89/4885HTT 3847/4885 |
“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.