Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.70 |
| ▸ | LMNA | P02545 | 5/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.55 |
| ▸ | PARP1 | P09874 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | GMNN | O75496 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | MMP9 | P14780 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | MMP8 | P22894 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL11973430 | 0.84 | LMNA (0.56) | ALDH1A1LMNAALOX12PARP1KDM4E | |
| SCHEMBL28465492 | 0.83 | ALDH1A1 (0.54) | ALDH1A1LMNAALOX12PARP1KDM4E | |
| SCHEMBL69869 | 0.82 | ALDH1A1 (0.70) | ALDH1A1LMNAALOX12NAPRTPARP1 | |
| SCHEMBL29906219 | 0.82 | ALDH1A1 (0.70) | ALDH1A1LMNAALOX12NAPRTPARP1 | |
| SCHEMBL1759043 | 0.82 | ALDH1A1 (1.00) | ALDH1A1LMNAALOX12KDM4ETP53 | |
| SCHEMBL9139640 | 0.81 | ALDH1A1 (0.97) | ALDH1A1LMNAALOX12KDM4ETP53 | |
| SCHEMBL644794 | 0.81 | ALDH1A1 (0.68) | ALDH1A1LMNAALOX12PARP1KDM4E | |
| SCHEMBL999633 | 0.81 | ALDH1A1 (0.68) | ALDH1A1LMNAALOX12PARP1KDM4E | |
| SCHEMBL13516424 | 0.81 | ALDH1A1 (0.68) | ALDH1A1LMNAALOX12PARP1KDM4E | |
| SCHEMBL8139304 | 0.80 | KDM4E (0.56) | ALDH1A1LMNAPARP1KDM4ETDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017123482-A1 | DIHYDROPYRIDO QUINAZOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2017-07-20 | — | — | WO | disclosed |
| US-9090559-B2 | Antiviral compounds | HOFFMANN-LA ROCHE INC. (US) | 2015-07-28 | — | — | US | disclosed |
| US-9090559-B2 | Antiviral compounds | HOFFMANN-LA ROCHE INC. (US) | 2015-07-28 | — | — | US | disclosed |
| US-20150005283-A1 | ANTIVIRAL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2015-01-01 | — | — | US | disclosed |
| US-20150005283-A1 | ANTIVIRAL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2015-01-01 | — | — | 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-20150005283-A1 | ANTIVIRAL COMPOUNDS | HAVCR2, EIF2AK2, MAVS | ALDH1A1 1653/4885LMNA 3882/4885ALOX12 1671/4885 |
“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.