Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SCN1A | P35498 | 1/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 4/20 | 0.35 |
| ▸ | DRD4 | P21917 | 4/20 | 0.35 |
| ▸ | DRD3 | P35462 | 4/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9571875 | 0.80 | ALDH1A1 (0.53) | ALDH1A1KDM4EADRB2TDP1SMN1; SMN2 | |
| SCHEMBL7023418 | 0.79 | HTR1B (0.50) | ALDH1A1CYP1A2CYP2C19KDM4EADRB2 | |
| SCHEMBL5542969 | 0.78 | HTR1B (0.53) | ALDH1A1KDM4ETDP1MEN1KMT2A | |
| SCHEMBL1462360 | 0.78 | TDP1 (0.42) | TDP1 | |
| SCHEMBL7334401 | 0.78 | ADRB2 (0.42) | ALDH1A1ADRB2MEN1KMT2AATM | |
| SCHEMBL1244395 | 0.77 | PPIA (0.35) | ALDH1A1TDP1MEN1KMT2ARAB9A | |
| SCHEMBL27539916 | 0.76 | HTR1B (0.44) | CYP1A2CYP2C19KDM4EMEN1KMT2A | |
| SCHEMBL6238419 | 0.75 | JAK2 (0.33) | ALDH1A1KDM4ETDP1SMN1; SMN2LMNA | |
| SCHEMBL216551 | 0.75 | ADRB2 (0.51) | ALDH1A1KDM4EADRB2TDP1MEN1 | |
| SCHEMBL23374713 | 0.75 | DRD4 (0.63) | CYP1A2KDM4EATMDRD2DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0395528-B1 | 4-Phenylmethyl-1H-indole derivatives, process and intermediates for their preparation, their use as medicines and compositions containing them | ROUSSEL UCLAF (FR) | 1995-07-05 | — | — | EP | disclosed |
| EP-0395528-A2 | 4-Phenylmethyl-1H-indole derivatives, process and intermediates for their preparation, their use as medicines and compositions containing them | ROUSSEL-UCLAF (FR) | 1990-10-31 | — | — | EP | disclosed |