Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.58 |
| ▸ | MAOA | P21397 | 2/20 | 0.56 |
| ▸ | MAOB | P27338 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | MAPT | P10636 | 5/20 | 0.55 |
| ▸ | GAA | P10253 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 7/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.55 |
| ▸ | NPC1 | O15118 | 6/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL21325519 | 0.85 | SMN1; SMN2 (0.42) | HPGDCYP1A2CYP2C19ALDH1A1MAPT | |
| SCHEMBL8167087 | 0.79 | CYP1A2 (0.85) | HPGDCYP1A2CYP2C19MAOAMAOB | |
| SCHEMBL13754514 | 0.78 | ALDH1A1 (0.69) | HPGDCYP1A2CYP2C19MAOAMAOB | |
| SCHEMBL13715007 | 0.78 | HPGD (0.66) | HPGDCYP1A2CYP2C19MAOAMAOB | |
| SCHEMBL19035711 | 0.78 | SMN1; SMN2 (0.55) | HPGDCYP1A2CYP2C19ALDH1A1MAPT | |
| SCHEMBL7306947 | 0.78 | CYP1A2 (0.69) | HPGDCYP1A2CYP2C19MAOAMAOB | |
| SCHEMBL3667176 | 0.77 | ALDH1A1 (0.56) | HPGDCYP1A2CYP2C19MAOAMAOB | |
| SCHEMBL2608943 | 0.77 | HTT (0.70) | HPGDCYP1A2CYP2C19ALDH1A1MAPT | |
| SCHEMBL14519904 | 0.77 | RAB9A (0.55) | HPGDCYP1A2CYP2C19MAOAMAOB | |
| SCHEMBL23944962 | 0.76 | MEN1 (0.54) | ALDH1A1MAPTGAARAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9687832-B2 | Bifunctional organic catalysts | OXFORD UNIVERSITY INNOVATION LIMITED (GB) | 2017-06-27 | — | — | US | disclosed |
| CN-1252717-A | Intermediate and method for preparing benzo [ b ] thiophene | LILLY CO ELI (US) | 2000-05-10 | — | — | CN | disclosed |
| WO-1998048787-A1 | INTERMEDIATES AND A PROCESS FOR PREPARING BENZO[b]THIOPHENES | ELI LILLY AND COMPANY (US) | 1998-11-05 | — | — | WO | disclosed |