Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.41 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CCR6 | P51684 | 2/20 | 0.38 |
| ▸ | KHK | P50053 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.37 |
| ▸ | MCOLN2 | Q8IZK6 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.36 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.35 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | VCP | P55072 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13436487 | 0.94 | KDM4E (0.41) | KDM4EALDH1A1MAPTPKMTGFBR1 | |
| SCHEMBL13436500 | 0.85 | HRH4 (0.44) | KDM4EALDH1A1MAPTCCR6 | |
| SCHEMBL15871375 | 0.84 | HRH3 (0.39) | TGFBR1ACVR1KCNH2CCR6HRH3 | |
| SCHEMBL21282988 | 0.84 | CCR6 (0.45) | CCR6CHRNB2CHRNA4 | |
| SCHEMBL14098553 | 0.84 | CCR6 (0.48) | CCR6CHRNB2CHRNA4 | |
| SCHEMBL16131144 | 0.83 | CCR6 (0.47) | CCR6CHRNB2CHRNA4 | |
| SCHEMBL13436326 | 0.82 | CCR6 (0.39) | CCR6HRH3CHRNB2CHRNA4 | |
| SCHEMBL15345003 | 0.81 | KDM4E (0.46) | KDM4EALDH1A1MAPTPKMTGFBR1 | |
| SCHEMBL13436331 | 0.81 | KDM4E (0.46) | KDM4EALDH1A1MAPTCCR6KHK | |
| SCHEMBL13436267 | 0.80 | CHRNB2 (0.58) | CHRNB2CHRNA4 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180127388-A1 | THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. | 2018-05-10 | — | — | US | disclosed |
| US-20180127388-A1 | THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. | 2018-05-10 | — | — | US | disclosed |
| US-20160015690-A1 | THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. | 2016-01-21 | — | — | US | disclosed |
| US-8987250-B2 | Therapeutic compounds | GILEAD SCIENCES, INC. (US) | 2015-03-24 | — | — | US | disclosed |
| US-8778929-B2 | Substituted heteroaryl inhibitors of B-RAF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-15 | — | — | US | disclosed |
| US-8778929-B2 | Substituted heteroaryl inhibitors of B-RAF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-15 | — | — | US | disclosed |
| US-20130281433-A1 | THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. | 2013-10-24 | — | — | US | disclosed |
| US-20110312939-A1 | NEW CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-12-22 | — | — | US | disclosed |
| US-20110312939-A1 | NEW CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-12-22 | — | — | US | disclosed |
| WO-2010034838-A2 | NEW CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-01 | — | — | 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 (4 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-20180127388-A1 | THERAPEUTIC COMPOUNDS | NQO1, HAVCR2, CCR5 | KDM4E 4221/4885ALDH1A1 355/4885MAPT 1627/4885 |
| US-20110312939-A1 | NEW CHEMICAL COMPOUNDS | CCNA1, CCNT1, MKI67 | KDM4E 2715/4885ALDH1A1 175/4885MAPT 3852/4885 |
| US-20160015690-A1 | THERAPEUTIC COMPOUNDS | NQO1, HAVCR2, CCR5 | KDM4E 4221/4885ALDH1A1 355/4885MAPT 1627/4885 |
| US-20130281433-A1 | THERAPEUTIC COMPOUNDS | NQO1, HAVCR2, CCR5 | KDM4E 4221/4885ALDH1A1 355/4885MAPT 1627/4885 |
“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.