Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | SRC | P12931 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | CTSD | P07339 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL182527 | 0.79 | SRC (0.59) | CES2CES1CYP2D6SRCLMNA | |
| SCHEMBL170040 | 0.79 | SRC (0.67) | CES2CES1EPHX1CYP2D6SRC | |
| SCHEMBL1320067 | 0.78 | CES2 (0.67) | CES2CES1EPHX1CYP2D6SRC | |
| SCHEMBL1091960 | 0.78 | EPHX1 (0.48) | CES2CES1EPHX1CYP2D6SRC | |
| SCHEMBL741751 | 0.77 | MEN1 (0.58) | CES2CES1EPHX1CYP2D6SRC | |
| SCHEMBL31242992 | 0.77 | CYP2D6 (0.64) | CES2CES1EPHX1CYP2D6SRC | |
| SCHEMBL1581315 | 0.75 | SRC (0.76) | CES2CES1EPHX1CYP2D6SRC | |
| Hydrochloric Acid SCHEMBL8550499 | 0.75 | MEN1 (0.56) | CES2CES1EPHX1CYP2D6SRC | |
| SCHEMBL5610369 | 0.75 | CES2 (0.50) | CES2CES1CYP2D6SRCLMNA | |
| SCHEMBL544671 | 0.75 | EPHX1 (0.50) | CES2CES1EPHX1CYP2D6SRC |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109715632-A | Macrocyclic indole derivatives | 拜尔公开股份有限公司 | 2019-05-03 | — | — | CN | claimed |
| CN-109715632-A | Macrocyclic indole derivatives | 拜尔公开股份有限公司 | 2019-05-03 | — | — | CN | disclosed |
| EP-2042502-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. (JP) | 2009-04-01 | — | — | EP | disclosed |
| EP-1544199-B1 | NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR | JAPAN TOBACCO INC (JP) | 2008-10-15 | — | — | EP | disclosed |
| US-20080161311-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. | 2008-07-03 | — | — | US | disclosed |
| US-7211572-B2 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. (JP) | 2007-05-01 | — | — | US | disclosed |
| US-20060052361-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. | 2006-03-09 | — | — | US | disclosed |
| EP-1544199-A1 | NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR | JAPAN TOBACCO INC. (JP) | 2005-06-22 | — | — | EP | disclosed |
| US-20050054645-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. (JP) | 2005-03-10 | — | — | 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-20050054645-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | NNMT, PNP, DNTT | CES2 800/4885CES1 1050/4885EPHX1 2990/4885 |
| US-20060052361-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | NNMT, PNP, DNTT | CES2 800/4885CES1 1050/4885EPHX1 2990/4885 |
| US-20080161311-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | DNTT, PNP, NNMT | CES2 811/4885CES1 1430/4885EPHX1 3172/4885 |
“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.