Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | SHBG | P04278 | 1/20 | 0.34 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 3/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9970964 | 0.81 | NOS3 (0.35) | GPR52AGBL2NPC1RAB9A | |
| SCHEMBL28762215 | 0.79 | GPR52 (0.31) | GPR52AGBL2 | |
| SCHEMBL21278154 | 0.79 | LOXL2 (0.39) | GPR52CHRM4 | |
| SCHEMBL29738505 | 0.79 | GPR52 (0.31) | GPR52AGBL2 | |
| SCHEMBL336161 | 0.78 | SHBG (0.41) | CYP2A6SHBGHSD17B10FYNRECQL | |
| SCHEMBL16619402 | 0.76 | SLC6A4 (0.36) | CYP2A6GPR52CHRM4MMP13 | |
| SCHEMBL335548 | 0.76 | AGBL2 (0.37) | CYP2A6SHBGHSD17B10FYNAGBL2 | |
| SCHEMBL17229282 | 0.76 | S1PR1 (0.33) | GPR52POLB | |
| SCHEMBL14667129 | 0.76 | ESR1 (0.32) | GPR52 | |
| SCHEMBL16629768 | 0.76 | PTGS1 (0.34) | GPR52HSD17B10PTGS1PTGS2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-20120078296-A1 | BIOMIMETIC COMPOUNDS AND SYNTHETIC METHODS THEREFOR | KNC NER ACQUISITION SUB, INC. (US) | 2012-03-29 | — | — | 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 |
| WO-1999025713-A1 | 2-METHOXYIMINO-2-PHENYL ACETAMIDES CONTAINING A KETAL- OR DIALKOXY SUBSTITUTED PYRIDINE MOIETY, THEIR PREPARATION AND THEIR USE AS FUNGICIDES | DOW AGROSCIENCES LLC (US) | 1999-05-27 | — | — | 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-20100098661-A1 | 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS | ZC3HAV1, IDO1, ZC3HAV1L | CYP2A6 92/4885SHBG 901/4885GPR52 2964/4885 |
“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.