Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4891121 | 0.92 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2KDM4ECYP2C9CYP2C19 | |
| SCHEMBL4687273 | 0.89 | ALDH1A1 (0.53) | ALDH1A1NPC1RAB9ASMN1; SMN2MTNR1A | |
| SCHEMBL4159575 | 0.86 | ABCB1 (0.51) | ABCB1NPC1RAB9APOLBSMN1; SMN2 | |
| SCHEMBL4152950 | 0.81 | RAB9A (0.50) | ALDH1A1ABCB1NPC1RAB9APOLB | |
| SCHEMBL4141366 | 0.81 | ALDH1A1 (0.41) | ALDH1A1ABCB1NPC1RAB9APOLB | |
| SCHEMBL10678151 | 0.80 | NPC1 (0.50) | ABCB1NPC1RAB9APOLBSMN1; SMN2 | |
| SCHEMBL10922825 | 0.79 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2RXRACYP2C9CYP2C19 | |
| SCHEMBL4140684 | 0.78 | ABCB1 (0.53) | ALDH1A1ABCB1NPC1RAB9AMAOB | |
| SCHEMBL10530981 | 0.77 | RAB9A (0.54) | ALDH1A1ABCB1NPC1RAB9APOLB | |
| SCHEMBL4157654 | 0.76 | ABCB1 (0.49) | ABCB1NPC1RAB9APOLBSMN1; SMN2 |
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 | ALDH1A1 1315/4885ABCB1 975/4885NPC1 4324/4885 |
| US-20090099168-A1 | HIV Integrase inhibitors | DPYD, DUT, QDPR | ALDH1A1 1266/4885ABCB1 918/4885NPC1 4236/4885 |
“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.