Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1B | P47901 | 4/20 | 0.52 |
| ▸ | HTR6 | P50406 | 5/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | OXTR | P30559 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TPSAB1 | Q15661 | 2/20 | 0.39 |
| ▸ | ACLY | P53396 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3752797 | 0.93 | AVPR1B (0.52) | AVPR1BHTR6KCNH2PKMOXTR | |
| Trifluoroacetic Acid SCHEMBL3755402 | 0.93 | AVPR1B (0.53) | AVPR1BHTR6KCNH2PKMOXTR | |
| Trifluoroacetic Acid SCHEMBL3744543 | 0.92 | HTR6 (0.47) | AVPR1BHTR6KCNH2PKMOXTR | |
| SCHEMBL3751705 | 0.83 | HTR6 (0.56) | AVPR1BHTR6KCNH2ALDH1A1TSHR | |
| SCHEMBL3754777 | 0.82 | ALDH1A1 (0.48) | AVPR1BHTR6ALDH1A1TSHRSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL3752788 | 0.80 | AVPR1B (0.54) | AVPR1BHTR6KCNH2OXTR | |
| Trifluoroacetic Acid SCHEMBL3749338 | 0.79 | AVPR1B (0.63) | AVPR1BHTR6KCNH2PKMOXTR | |
| Trifluoroacetic Acid SCHEMBL3754269 | 0.77 | HTR6 (0.49) | HTR6KCNH2ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL3759249 | 0.75 | ALDH1A1 (0.45) | AVPR1BHTR6ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL3747271 | 0.74 | ALDH1A1 (0.46) | AVPR1BHTR6ALDH1A1TSHRSMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7838518-B2 | 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders | N.V. ORGANON (NL) | 2010-11-23 | — | — | US | disclosed |
| EP-1476151-B1 | 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | ORGANON NV (NL) | 2008-07-16 | — | — | EP | disclosed |