Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 1.00 |
| ▸ | RAB9A | P51151 | 7/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 4/20 | 1.00 |
| ▸ | MEN1 | O00255 | 3/20 | 1.00 |
| ▸ | MITF | O75030 | 2/20 | 1.00 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 1.00 |
| ▸ | NPSR1 | Q6W5P4 | 7/20 | 0.82 |
| ▸ | MAPT | P10636 | 6/20 | 0.82 |
| ▸ | HTT | P42858 | 3/20 | 0.82 |
| ▸ | LMNA | P02545 | 2/20 | 0.82 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.51 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.43 |
| ▸ | WNT3A | P56704 | 1/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL23094166 | 0.91 | NPC1 (1.00) | NPC1RAB9AALDH1A1KMT2AMEN1 | |
| SCHEMBL13504941 | 0.89 | NPC1 (0.81) | NPC1RAB9AALDH1A1KMT2AMEN1 | |
| SCHEMBL12652713 | 0.89 | NPC1 (0.81) | NPC1RAB9AALDH1A1KMT2AMEN1 | |
| SCHEMBL13475466 | 0.82 | ALDH1A1 (0.70) | NPC1RAB9AALDH1A1KMT2AMEN1 | |
| SCHEMBL7893567 | 0.80 | MEN1 (0.67) | NPC1RAB9AALDH1A1KMT2AMEN1 | |
| SCHEMBL21467691 | 0.80 | MAPT (0.81) | NPC1RAB9AALDH1A1KMT2AMEN1 | |
| SCHEMBL10991862 | 0.79 | ALDH1A1 (0.65) | NPC1RAB9AALDH1A1KMT2AMEN1 | |
| SCHEMBL7334283 | 0.77 | ALDH1A1 (0.62) | NPC1RAB9AALDH1A1KMT2AMEN1 | |
| SCHEMBL7343483 | 0.76 | ALDH1A1 (0.61) | NPC1RAB9AALDH1A1KMT2AMEN1 | |
| SCHEMBL2345303 | 0.76 | ALDH1A1 (1.00) | NPC1RAB9AALDH1A1KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-10947188-B2 | Small molecule ferroptosis inducers | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2021-03-16 | — | — | US | disclosed |
| US-20190315681-A1 | SMALL MOLECULE FERROPTOSIS INDUCERS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2019-10-17 | — | — | US | disclosed |
| WO-2018118711-A1 | SMALL MOLECULE FERROPTOSIS INDUCERS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-06-28 | — | — | 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 (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-10947188-B2 | Small molecule ferroptosis inducers | GPX4, AIFM2, GPX1 | NPC1 365/4885RAB9A 2758/4885ALDH1A1 845/4885 |
| US-20190315681-A1 | SMALL MOLECULE FERROPTOSIS INDUCERS | GPX4, AIFM2, GPX1 | NPC1 365/4885RAB9A 2758/4885ALDH1A1 845/4885 |
“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.