Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.48 |
| ▸ | TDO2 | P48775 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12326409 | 0.86 | AKR1C3 (0.57) | CYP2A6MAOAMAOBMAP2K4CYP3A4 | |
| SCHEMBL3424504 | 0.84 | CYP2A6 (0.56) | CYP2A6MAOAMAOBMAP2K4CYP3A4 | |
| SCHEMBL25871383 | 0.84 | CYP2A6 (0.56) | CYP2A6MAOAMAOBMAP2K4CYP3A4 | |
| SCHEMBL15624620 | 0.82 | TDO2 (0.56) | CYP2A6CYP3A4TDO2NPC1RAB9A | |
| SCHEMBL14003400 | 0.82 | CYP2A6 (0.54) | CYP2A6MAOAMAOBMAP2K4CYP3A4 | |
| SCHEMBL4452255 | 0.81 | CYP2A6 (0.53) | CYP2A6MAOAMAOBMAP2K4CYP3A4 | |
| SCHEMBL28115752 | 0.81 | CYP2A6 (0.51) | CYP2A6CYP3A4TDO2CYP2C19NPC1 | |
| SCHEMBL2666046 | 0.80 | PIM1 (0.44) | RPS6KA3CYP2C9AKR1C3AKR1C2ERN1 | |
| SCHEMBL6171120 | 0.79 | CYP2A6 (0.51) | CYP2A6MAOAMAOBMAP2K4CYP3A4 | |
| SCHEMBL8360922 | 0.79 | CYP2A6 (0.51) | CYP2A6MAOAMAOBMAP2K4CYP3A4 |
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-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 |
| WO-2010130034-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-18 | — | — | WO | 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 |
| WO-2002074773-A1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2002-09-26 | — | — | WO | disclosed |
| WO-2002074772-A1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2002-09-26 | — | — | 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-20100292227-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | RTF2, REV1, RTF1 | CYP2A6 2272/4885MAOA 2855/4885MAOB 2197/4885 |
| US-20130203747-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | RTF2, REV1, RTF1 | CYP2A6 2272/4885MAOA 2855/4885MAOB 2197/4885 |
“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.