Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.52 |
| ▸ | BRDT | Q58F21 | 2/20 | 0.52 |
| ▸ | TTR | P02766 | 2/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.49 |
| ▸ | MAPK7 | Q13164 | 4/20 | 0.46 |
| ▸ | DCLK1 | O15075 | 4/20 | 0.46 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.45 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.45 |
| ▸ | AURKA | O14965 | 3/20 | 0.45 |
| ▸ | PIK3C2G | O75747 | 3/20 | 0.45 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9372896 | 0.85 | ALDH1A1 (0.47) | BRD4BRDTTTRCES1MAPK7 | |
| SCHEMBL8549588 | 0.81 | BRD4 (0.39) | BRD4BRDTTTRCES1MAPK7 | |
| SCHEMBL10098691 | 0.79 | MAPK7 (0.56) | BRD4BRDTTTRCES1MAPK7 | |
| SCHEMBL9374322 | 0.78 | TNK2 (0.48) | MAPK7LRRK2RAB9AALDH1A1LMNA | |
| SCHEMBL9369781 | 0.78 | TNK2 (0.42) | BRD4MAPK7DCLK1LRRK2DRD2 | |
| SCHEMBL16127516 | 0.78 | TTR (0.75) | TTRCES1LRRK2DRD2HTR6 | |
| SCHEMBL17721092 | 0.75 | MAPK7 (0.57) | BRD4BRDTTTRCES1MAPK7 | |
| SCHEMBL12059596 | 0.74 | TTR (0.69) | TTRCES1LRRK2DRD2HTR6 | |
| SCHEMBL10098766 | 0.74 | DCLK1 (0.58) | BRD4BRDTTTRCES1MAPK7 | |
| SCHEMBL16980134 | 0.74 | POLB (0.39) | TTRCES1AURKAAURKBNR1H2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9695172-B2 | Diazepane derivatives and uses thereof | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2017-07-04 | — | — | US | disclosed |
| US-9695172-B2 | Diazepane derivatives and uses thereof | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2017-07-04 | — | — | US | disclosed |
| US-9695172-B2 | Diazepane derivatives and uses thereof | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2017-07-04 | — | — | US | disclosed |
| US-20160347749-A1 | DIAZEPANE DERIVATIVES AND USES THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2016-12-01 | — | — | US | disclosed |
| US-20160347749-A1 | DIAZEPANE DERIVATIVES AND USES THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2016-12-01 | — | — | US | disclosed |
| US-20160347749-A1 | DIAZEPANE DERIVATIVES AND USES THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2016-12-01 | — | — | US | disclosed |
| WO-2015117083-A1 | DIAZEPANE DERIVATIVES AND USES THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2015-08-06 | — | — | 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 (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-20160347749-A1 | DIAZEPANE DERIVATIVES AND USES THEREOF | BRDT, BRD4, BRD3 | BRD4 2/4885BRDT 1/4885TTR 4746/4885 |
“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.