Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | GPX4 | P36969 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | CPT2 | P23786 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19069153 | 0.98 | ALDH1A1 (0.38) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL18737307 | 0.93 | ALDH1A1 (0.36) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL18857525 | 0.87 | ALDH1A1 (0.42) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL19240716 | 0.87 | ALDH1A1 (0.42) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL21166472 | 0.86 | ALDH1A1 (0.41) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL19176543 | 0.86 | ALDH1A1 (0.41) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL20216159 | 0.84 | ALDH1A1 (0.40) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL23639761 | 0.83 | EPHX2 (0.48) | ALDH1A1EPHX2CES2DNM1CNR1 | |
| SCHEMBL13575332 | 0.81 | ALDH1A1 (0.36) | ALDH1A1RAB9A | |
| SCHEMBL9422721 | 0.81 | NPC1 (0.51) | ALDH1A1TP53NPC1RAB9APAX8 |
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-10774052-B2 | Heteroaryl compounds and uses thereof | CELGENE CAR LLC (BM) | 2020-09-15 | — | — | 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-10774052-B2 | Heteroaryl compounds and uses thereof | ABCG2, CYP3A43, CYP3A5 | ALDH1A1 684/4885TP53 1214/4885NPC1 48/4885 |
“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.