Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MLNR | O43193 | 1/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7044742 | 0.86 | SRD5A2 (0.53) | CYP2D6KDM4EALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL12388663 | 0.85 | CYP2D6 (0.59) | CYP2D6KDM4EALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL12874793 | 0.81 | SRD5A2 (0.50) | CYP2D6KDM4EALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL10867060 | 0.79 | HTR1A (0.71) | CYP2D6KDM4EALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL914490 | 0.79 | KDM4E (0.54) | CYP2D6KDM4EALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL217459 | 0.78 | FLT3 (0.66) | KDM4EPOLBMAPTDUSP3PTPN5 | |
| SCHEMBL913480 | 0.78 | KDM4E (0.53) | CYP2D6KDM4EALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL25077801 | 0.77 | SRD5A2 (0.49) | CYP2D6KDM4EALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL6595625 | 0.77 | SRD5A2 (0.77) | CYP2D6KDM4EALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL914150 | 0.76 | ULK1 (0.67) | CYP2D6KDM4EALDH1A1CYP1A2HSD17B10 |
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-8901139-B2 | Tricyclic indole derivatives and methods of use thereof | MERCK SHARP & DOHME CORP. (US) | 2014-12-02 | — | — | US | disclosed |
| US-8901139-B2 | Tricyclic indole derivatives and methods of use thereof | MERCK SHARP & DOHME CORP. (US) | 2014-12-02 | — | — | US | disclosed |
| US-8557848-B2 | 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections | MERCK SHARP & DOHME CORP. (US) | 2013-10-15 | — | — | US | disclosed |
| US-8557848-B2 | 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections | MERCK SHARP & DOHME CORP. (US) | 2013-10-15 | — | — | US | disclosed |
| US-20110189127-A1 | TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF | MERCK SHARP & DOHME LLC | 2011-08-04 | — | — | US | disclosed |
| US-20100098661-A1 | 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS | SCHERING CORPORATION | 2010-04-22 | — | — | US | disclosed |
| US-20100098661-A1 | 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS | SCHERING CORPORATION | 2010-04-22 | — | — | 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 (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-20100098661-A1 | 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS | ZC3HAV1, IDO1, ZC3HAV1L | CYP2D6 133/4885KDM4E 405/4885ALDH1A1 248/4885 |
| US-20110189127-A1 | TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF | IDO1, IDO2, TPH1 | CYP2D6 232/4885KDM4E 1597/4885ALDH1A1 1741/4885 |
“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.