Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.66 |
| ▸ | RAB9A | P51151 | 3/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | BCHE | P06276 | 2/20 | 0.49 |
| ▸ | ACHE | P22303 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.47 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.46 |
| ▸ | CDK4 | P11802 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.46 |
| ▸ | TSPO | P30536 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL418467 | 0.92 | NPC1 (0.59) | NPC1RAB9AKMT2AALDH1A1BCHE | |
| SCHEMBL416207 | 0.88 | MAPK1 (0.60) | NPC1RAB9AKMT2AALDH1A1BCHE | |
| SCHEMBL418540 | 0.88 | NPC1 (0.55) | NPC1RAB9AKMT2AALDH1A1BCHE | |
| SCHEMBL4072151 | 0.84 | NPC1 (0.85) | NPC1RAB9AKMT2AALDH1A1BCHE | |
| SCHEMBL571146 | 0.83 | ALDH1A1 (0.66) | NPC1RAB9AKMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL411317 | 0.80 | NPC1 (0.45) | NPC1RAB9AKMT2AALDH1A1BCHE | |
| SCHEMBL2485825 | 0.80 | LMNA (0.47) | NPC1RAB9AKMT2ASMN1; SMN2RIPK1 | |
| SCHEMBL417283 | 0.80 | NPC1 (0.43) | NPC1RAB9AKMT2AALDH1A1POLB | |
| SCHEMBL16831598 | 0.80 | NPC1 (0.77) | NPC1RAB9AKMT2AALDH1A1BCHE | |
| SCHEMBL4074355 | 0.80 | NPC1 (0.77) | NPC1RAB9AKMT2AALDH1A1BCHE |
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-20120022054-A1 | NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS | LABORATOIRE BIODIM (FR) | 2012-01-26 | — | — | 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-20120022054-A1 | NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS | HAVCR2, MAVS, EIF2AK2 | NPC1 76/4885RAB9A 646/4885KMT2A 2843/4885 |
“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.