Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.45 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8635962 | 1.00 | TDP1 (0.48) | TDP1ALDH1A1SMN1; SMN2AKR1C3MAPT | |
| SCHEMBL9812652 | 0.85 | CA1 (0.48) | ALDH1A1MAPTHTTLMNAKMT2A | |
| SCHEMBL1996920 | 0.84 | AKR1C1 (0.53) | TDP1ALDH1A1AKR1C3HTTLMNA | |
| SCHEMBL1996915 | 0.84 | AKR1C1 (0.53) | TDP1ALDH1A1AKR1C3HTTLMNA | |
| SCHEMBL2407093 | 0.84 | AKR1C1 (0.53) | TDP1ALDH1A1AKR1C3HTTLMNA | |
| SCHEMBL8958971 | 0.83 | HTT (0.50) | ALDH1A1SMN1; SMN2AKR1C3MAPTKDM4E | |
| SCHEMBL8958964 | 0.83 | HTT (0.50) | ALDH1A1SMN1; SMN2AKR1C3MAPTKDM4E | |
| SCHEMBL8958972 | 0.83 | AKR1C3 (0.50) | TDP1ALDH1A1SMN1; SMN2AKR1C3MAPT | |
| SCHEMBL8958715 | 0.83 | TPMT (0.47) | ALDH1A1AKR1C3KMT2AMEN1 | |
| SCHEMBL8958673 | 0.83 | AKR1C3 (0.49) | ALDH1A1SMN1; SMN2AKR1C3MAPTKDM4E |
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-5519048-A | 3-(indol-3-yl)-propenoic acid derivatives and pharmaceutical compositions thereof | MERRELL PHARMACEUTICALS INC. (US) | 1996-05-21 | — | — | US | disclosed |