Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of 2-Methylindole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.55 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.52 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | AURKA | O14965 | 1/20 | 0.50 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.50 |
| ▸ | AXL | P30530 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.47 |
| ▸ | FLT3 | P36888 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | DAO | P14920 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 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 | |
|---|---|---|---|---|
| 2-Methylindole SCHEMBL29377448 | 0.98 | BRD4 (0.57) | BRD4AOC3CYP2A6KEAP1KDM4E | |
| 2-Methylindole SCHEMBL12420 | 0.98 | BRD4 (0.57) | BRD4AOC3CYP2A6KEAP1KDM4E | |
| 2-Methylindole SCHEMBL28876208 | 0.95 | BRD4 (0.55) | BRD4AOC3CYP2A6KEAP1KDM4E | |
| SCHEMBL21284843 | 0.95 | BRD4 (0.55) | BRD4AOC3CYP2A6KEAP1KDM4E | |
| 2-Methylindole SCHEMBL27901243 | 0.95 | AOC3 (0.56) | BRD4AOC3CYP2A6KEAP1KDM4E | |
| 2-Methylindole SCHEMBL29226785 | 0.95 | BRD4 (0.55) | BRD4AOC3CYP2A6KEAP1KDM4E | |
| 2-Methylindole SCHEMBL28806610 | 0.95 | BRD4 (0.55) | BRD4AOC3CYP2A6KEAP1KDM4E | |
| 2-Methylindole SCHEMBL31025706 | 0.95 | BRD4 (0.55) | BRD4AOC3CYP2A6KEAP1KDM4E | |
| 2-Methylindole SCHEMBL28139181 | 0.93 | BRD4 (0.53) | BRD4AOC3CYP2A6KEAP1KDM4E | |
| 2-Methylindole SCHEMBL27523440 | 0.93 | BRD4 (0.53) | BRD4AOC3CYP2A6KEAP1KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050154039-A1 | 5-Sulphanyl-4h-1,2,4-triazole derivatives and their use as medicine | IPSEN PHARMA S.A.S. (FR) | 2005-07-14 | — | — | 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 (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-20050154039-A1 | 5-Sulphanyl-4h-1,2,4-triazole derivatives and their use as medicine | SSTR3, SSTR1, SSTR5 | BRD4 1732/4885AOC3 2993/4885CYP2A6 1540/4885 |
“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.