Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | CD44 | P16070 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11806943 | 0.84 | TDP1 (0.44) | CYP3A4TSHRALDH1A1TDP1MAPT | |
| SCHEMBL30039012 | 0.81 | CD44 (0.43) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL29922761 | 0.80 | MAPT (0.46) | CYP3A4TSHRALDH1A1TDP1GAA | |
| SCHEMBL1022329 | 0.80 | MAPT (0.46) | CYP3A4TSHRALDH1A1TDP1GAA | |
| SCHEMBL30973162 | 0.80 | CYP3A4 (0.43) | CYP3A4TSHRPIK3CAALDH1A1ESR1 | |
| SCHEMBL10393919 | 0.78 | KEAP1 (0.48) | CYP3A4TSHRALDH1A1TDP1GAA | |
| SCHEMBL7805358 | 0.78 | GAA (0.42) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL5242624 | 0.78 | CYP3A4 (0.62) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL21247464 | 0.78 | TDP1 (0.42) | CYP3A4TSHRPIK3CAALDH1A1TDP1 | |
| SCHEMBL15040636 | 0.76 | ALDH1A1 (0.46) | CYP3A4TSHRPIK3CAALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20180194771-A1 | BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2018-07-12 | — | — | US | disclosed |
| US-9884867-B2 | Bicyclic alkyne derivatives and uses thereof | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2018-02-06 | — | — | US | disclosed |
| US-9884867-B2 | Bicyclic alkyne derivatives and uses thereof | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2018-02-06 | — | — | US | disclosed |
| US-20160229860-A1 | BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2016-08-11 | — | — | US | disclosed |
| WO-2014118092-A2 | DYE COMPOSITION COMPRISING AT LEAST ONE PARTICULAR LIPOPHILIC META-PHENYLENEDIAMINE COUPLER IN A MEDIUM RICH IN FATTY SUBSTANCES, PROCESSES AND DEVICES | L'OREAL (FR) | 2014-08-07 | — | — | 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-20160229860-A1 | BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF | MAPKAPK2, CAMKK2, MKNK2 | CYP3A4 4462/4885TSHR 4135/4885PIK3CA 868/4885 |
| US-20180194771-A1 | BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF | MAPKAPK2, CAMKK2, MKNK2 | CYP3A4 4462/4885TSHR 4135/4885PIK3CA 868/4885 |
“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.