Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | RARA | P10276 | 3/20 | 0.35 |
| ▸ | RARB | P10826 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | RARG | P13631 | 3/20 | 0.33 |
| ▸ | RXRA | P19793 | 2/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | BCR | P11274 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17485982 | 0.96 | NPC1 (0.38) | NPC1RAB9ARARARARBALDH1A1 | |
| SCHEMBL20805739 | 0.92 | NPC1 (0.34) | NPC1RAB9ARARARARBALDH1A1 | |
| SCHEMBL17485986 | 0.86 | RARA (0.36) | RARARARBRARGRXRA | |
| SCHEMBL17486298 | 0.86 | RARA (0.36) | RARARARBRARGRXRA | |
| SCHEMBL17486329 | 0.86 | RARB (0.42) | NPC1RAB9ARARARARBALDH1A1 | |
| SCHEMBL17486048 | 0.85 | NPC1 (0.35) | NPC1RAB9ARARARARBALDH1A1 | |
| SCHEMBL17486080 | 0.84 | ALOX5AP (0.36) | NPC1RAB9ARARARARBALDH1A1 | |
| SCHEMBL17486245 | 0.84 | NPC1 (0.40) | NPC1RAB9ARARARARBALDH1A1 | |
| SCHEMBL20805746 | 0.83 | RAB9A (0.34) | NPC1RAB9ARARARARBALDH1A1 | |
| SCHEMBL17486296 | 0.82 | RARA (0.38) | RARARARBRARGRXRAL3MBTL1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3174890-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-03-13 | — | — | EP | disclosed |
| US-9853228-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2017-12-26 | — | — | US | disclosed |
| US-9853228-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2017-12-26 | — | — | US | disclosed |
| US-20170250353-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2017-08-31 | — | — | US | disclosed |
| US-20170250353-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2017-08-31 | — | — | US | disclosed |
| WO-2016015815-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2016-02-04 | — | — | WO | 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-20170250353-A1 | METAL COMPLEXES | SOD1, AP1M1, AP3M1 | NPC1 3516/4885RAB9A 2201/4885RARA 3284/4885 |
“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.