Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13086520 | 0.84 | NPC1 (0.52) | NPC1LIPGMCHR1ALDH1A1KDM4E | |
| SCHEMBL18855748 | 0.84 | NPC1 (0.71) | NPC1LIPGMCHR1ALDH1A1KDM4E | |
| SCHEMBL9703528 | 0.82 | NPC1 (0.75) | NPC1LIPGMCHR1ALDH1A1KDM4E | |
| SCHEMBL8263002 | 0.79 | NPC1 (0.50) | NPC1LIPGMCHR1ALDH1A1EPHX2 | |
| SCHEMBL79064 | 0.79 | NPC1 (0.50) | NPC1LIPGMCHR1ALDH1A1KDM4E | |
| SCHEMBL13993536 | 0.79 | NPC1 (0.50) | NPC1LIPGMCHR1ALDH1A1EPHX2 | |
| SCHEMBL13741291 | 0.79 | HRH3 (0.51) | NPC1LIPGMCHR1EPHX2HRH3 | |
| Hydrochloric Acid SCHEMBL15352413 | 0.78 | NPC1 (0.49) | NPC1LIPGMCHR1ALDH1A1KDM4E | |
| SCHEMBL13866421 | 0.76 | NPC1 (0.46) | NPC1LIPGMCHR1ALDH1A1EPHX2 | |
| SCHEMBL12820372 | 0.76 | NPC1 (0.46) | NPC1LIPGMCHR1ALDH1A1KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150119373-A1 | NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS | HETERO LABS LIMITED (IN) | 2015-04-30 | — | — | US | 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-20150119373-A1 | NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS | BET1, PGGT1B, RABGGTB | NPC1 802/4885LIPG 1026/4885MCHR1 4703/4885 |
“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.