Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | CCNC | P24863 | 3/20 | 0.39 |
| ▸ | CDK8 | P49336 | 3/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10257233 | 1.00 | NPC1 (0.44) | NPC1RAB9ACA12CA1CA2 | |
| SCHEMBL2778053 | 0.81 | NPC1 (0.45) | NPC1RAB9ACA1CA2NFKB1 | |
| SCHEMBL2778049 | 0.81 | NPC1 (0.45) | NPC1RAB9ACA1CA2NFKB1 | |
| SCHEMBL544063 | 0.81 | CA12 (0.40) | NPC1RAB9ACA12CA1CA2 | |
| SCHEMBL10257567 | 0.81 | CA12 (0.40) | NPC1RAB9ACA12CA1CA2 | |
| SCHEMBL543224 | 0.81 | CA12 (0.40) | NPC1RAB9ACA12CA1CA2 | |
| SCHEMBL10257517 | 0.81 | CA12 (0.40) | NPC1RAB9ACA12CA1CA2 | |
| SCHEMBL543264 | 0.81 | CA12 (0.40) | NPC1RAB9ACA12CA1CA2 | |
| SCHEMBL10258000 | 0.81 | CA12 (0.40) | NPC1RAB9ACA12CA1CA2 | |
| SCHEMBL38663038 | 0.77 | NPC1 (0.56) | NPC1RAB9ACA12CA1CA2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240287022-A1 | IL4I1 INHIBITORS AND METHODS OF USE | MERCK SHARP & DOHME LLC (US) | 2024-08-29 | — | — | US | disclosed |
| WO-2023278222-A1 | IL4I1 INHIBITORS AND METHODS OF USE | MERCK SHARP & DOHME LLC (US) | 2023-01-05 | — | — | WO | disclosed |
| US-8110585-B2 | Bicyclic compound and pharmaceutical use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-02-07 | — | — | US | disclosed |
| US-8110585-B2 | Bicyclic compound and pharmaceutical use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-02-07 | — | — | US | disclosed |
| US-20100130538-A1 | BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-05-27 | — | — | 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 (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-20100130538-A1 | BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | MTNR1A, MTNR1B, XDH | NPC1 1140/4885RAB9A 3544/4885CA12 2291/4885 |
| US-20240287022-A1 | IL4I1 INHIBITORS AND METHODS OF USE | IL4I1, IL4, IL1RN | NPC1 413/4885RAB9A 1790/4885CA12 3513/4885 |
“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.