Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2778049 | 1.00 | NPC1 (0.45) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL13705670 | 0.82 | NPC1 (0.42) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL543543 | 0.81 | NPC1 (0.44) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL10257233 | 0.81 | NPC1 (0.44) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL15870921 | 0.80 | CREBBP (0.34) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL544070 | 0.78 | MEN1 (0.41) | NPC1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL543348 | 0.78 | USP7 (0.35) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL543347 | 0.78 | USP7 (0.35) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL2778185 | 0.77 | MIF (0.43) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL2778189 | 0.77 | MIF (0.43) | NPC1RAB9ANFKB1NFKB2RELA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2141150-B1 | BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2013-12-11 | — | — | EP | disclosed |
| US-20100130538-A1 | BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-05-27 | — | — | US | disclosed |
| EP-2141150-A1 | BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2010-01-06 | — | — | EP | 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-20100130538-A1 | BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | MTNR1A, MTNR1B, XDH | NPC1 1140/4885RAB9A 3544/4885NFKB1 2263/4885 |
“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.