Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 1/20 | 0.57 |
| ▸ | PRKACA | P17612 | 2/20 | 0.56 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.56 |
| ▸ | GSK3B | P49841 | 2/20 | 0.56 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.56 |
| ▸ | GALR3 | O60755 | 3/20 | 0.54 |
| ▸ | NR2F2 | P24468 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | BRD4 | O60885 | 2/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 1/20 | 0.50 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL16116733 | 0.94 | PRKACA (0.57) | TNFPRKACARPS6KB1GSK3BROCK1 | |
| SCHEMBL29770318 | 0.83 | KCNH2 (0.56) | TNFGALR3NR2F2RAB9ANPC1 | |
| SCHEMBL6581620 | 0.82 | GALR3 (0.56) | TNFGALR3NR2F2RAB9ANPC1 | |
| SCHEMBL18407705 | 0.81 | CNR2 (0.57) | CNR2KDM4E | |
| SCHEMBL18731913 | 0.81 | CNR2 (0.48) | PRKACARPS6KB1GSK3BROCK1RAB9A | |
| SCHEMBL979443 | 0.80 | HTT (0.60) | TNFPRKACARPS6KB1GSK3BROCK1 | |
| SCHEMBL1708203 | 0.80 | HTT (0.60) | TNFPRKACARPS6KB1GSK3BROCK1 | |
| SCHEMBL15956414 | 0.80 | LMNA (0.53) | PRKACARPS6KB1GSK3BROCK1LMNA | |
| SCHEMBL30897344 | 0.80 | PRKACA (0.52) | PRKACARPS6KB1GSK3BROCK1GALR3 | |
| SCHEMBL7168780 | 0.80 | LMNA (0.53) | PRKACARPS6KB1GSK3BROCK1LMNA |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019014300-A1 | PHENYLACETAMIDES AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-01-17 | — | — | WO | disclosed |
| EP-2429993-B1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGELHEIM INT (DE) | 2015-01-21 | — | — | EP | disclosed |
| US-8841331-B2 | Inhibitors of human immunodeficiency virus replication | GILEAD SCIENCES, INC. (US) | 2014-09-23 | — | — | US | disclosed |
| US-8841331-B2 | Inhibitors of human immunodeficiency virus replication | GILEAD SCIENCES, INC. (US) | 2014-09-23 | — | — | US | disclosed |
| US-20130203747-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | GILEAD SCIENCES, INC. (US) | 2013-08-08 | — | — | US | disclosed |
| US-8338441-B2 | Inhibitors of human immunodeficiency virus replication | GILEAD SCIENCES, INC. (US) | 2012-12-25 | — | — | US | disclosed |
| US-8338441-B2 | Inhibitors of human immunodeficiency virus replication | GILEAD SCIENCES, INC. (US) | 2012-12-25 | — | — | US | disclosed |
| US-20100292227-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) | 2010-11-18 | — | — | US | disclosed |
| US-20100292227-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) | 2010-11-18 | — | — | US | disclosed |
| US-7807672-B2 | Compounds that are ERK inhibitors | SCHERING CORPORATION (US) | 2010-10-05 | — | — | US | disclosed |
| US-20070232610-A1 | Novel compounds that are ERK inhibitors | SCHERING CORPORATION | 2007-10-04 | — | — | 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 (3 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-20100292227-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | RTF2, REV1, RTF1 | TNF 3449/4885PRKACA 4366/4885RPS6KB1 171/4885 |
| US-20070232610-A1 | Novel compounds that are ERK inhibitors | MAPK1, MAPK4, MAPKAPK2 | TNF 4813/4885PRKACA 496/4885RPS6KB1 79/4885 |
| US-20130203747-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | RTF2, REV1, RTF1 | TNF 3449/4885PRKACA 4366/4885RPS6KB1 171/4885 |
“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.