Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | THRA | P10827 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1018690 | 0.85 | CA12 (0.57) | ALDH1A1CA1CA2THRATHRB | |
| SCHEMBL2027641 | 0.83 | CA2 (0.55) | ALDH1A1CA1CA2THRATHRB | |
| SCHEMBL16225260 | 0.83 | THRA (0.52) | ALDH1A1THRATHRBKMT2AMAPT | |
| SCHEMBL6852273 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CA2HTTTHRATHRB | |
| SCHEMBL6470799 | 0.81 | KDM4E (0.66) | ALDH1A1HTTKMT2AMAPTLMNA | |
| SCHEMBL8313367 | 0.81 | CA2 (0.61) | ALDH1A1CA1CA2CYP19A1HTT | |
| SCHEMBL2212154 | 0.79 | HSD17B10 (0.60) | ALDH1A1CA1CA2HTTTHRA | |
| SCHEMBL11101781 | 0.79 | KMT2A (0.57) | ALDH1A1KMT2ANPC1MEN1GAA | |
| SCHEMBL28254131 | 0.78 | ALDH1A1 (0.47) | ALDH1A1CA1CA2CYP19A1KMT2A | |
| SCHEMBL20709277 | 0.78 | ALDH1A1 (0.50) | ALDH1A1HTTKMT2AMAPTLMNA |
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-10220099-B2 | Substituted pyrazino[1′,2′:1 ,5]pyrrolo[2,3-b]indole-1,4-diones for cancer treatment | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2019-03-05 | — | — | 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-10220099-B2 | Substituted pyrazino[1′,2′:1 ,5]pyrrolo[2,3-b]indole-1,4-diones for cancer treatment | IDO1, NPY1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 | ALDH1A1 534/4885CA1 2555/4885CA2 2228/4885 |
“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.