Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 5/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4898749 | 0.90 | L3MBTL1 (0.53) | ABCB1LTA4HHTR1AADRA1DADRA1A | |
| SCHEMBL5583648 | 0.87 | BCHE (0.50) | BCHEHTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL4688192 | 0.87 | L3MBTL1 (0.50) | ABCB1LTA4HHTR1AADRA1DADRA1A | |
| SCHEMBL4159575 | 0.84 | ABCB1 (0.51) | ABCB1NPC1RAB9ABCHELTA4H | |
| SCHEMBL4157654 | 0.82 | ABCB1 (0.49) | ABCB1NPC1RAB9ABCHELTA4H | |
| SCHEMBL4152950 | 0.82 | RAB9A (0.50) | ABCB1NPC1RAB9AHTR1AADRA1D | |
| SCHEMBL16740415 | 0.78 | MAOA (0.39) | BCHELTA4HHTR1AADRA1DADRA1A | |
| SCHEMBL31530947 | 0.78 | NPC1 (0.51) | ABCB1NPC1RAB9AMAOBTDP1 | |
| SCHEMBL4153190 | 0.78 | ALDH1A1 (0.47) | ABCB1NPC1RAB9AMAOBALDH1A1 | |
| SCHEMBL12301192 | 0.78 | NPC1 (0.70) | ABCB1NPC1RAB9ALTA4HHTR1A |
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-20090099168-A1 | HIV Integrase inhibitors | DONGHI MONICA | 2009-04-16 | — | — | US | disclosed |
| US-20070161639-A1 | Hiv integrase inhibitors | ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2007-07-12 | — | — | US | disclosed |
| EP-1725554-A1 | HIV INTEGRASE INHIBITORS | Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005087766-A1 | HIV INTEGRASE INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) | 2005-09-22 | — | — | 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-20070161639-A1 | Hiv integrase inhibitors | DPYD, DUT, TYMP | ABCB1 975/4885NPC1 4324/4885RAB9A 1733/4885 |
| US-20090099168-A1 | HIV Integrase inhibitors | DPYD, DUT, QDPR | ABCB1 918/4885NPC1 4236/4885RAB9A 1781/4885 |
“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.