Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | TOP2A | P11388 | 1/20 | 0.38 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11490783 | 0.88 | KCNQ2 (0.53) | THRBTDP1KMT2AALDH1A1TSHR | |
| SCHEMBL8121000 | 0.84 | ATM (0.58) | THRBTDP1KMT2APDK2ALDH1A1 | |
| SCHEMBL30117599 | 0.80 | PDK2 (0.48) | TDP1KMT2APDK2ALDH1A1L3MBTL1 | |
| SCHEMBL30117601 | 0.80 | PDK2 (0.48) | TDP1KMT2APDK2ALDH1A1L3MBTL1 | |
| SCHEMBL28938035 | 0.80 | PDK2 (0.48) | TDP1KMT2APDK2ALDH1A1L3MBTL1 | |
| SCHEMBL11099107 | 0.80 | NPSR1 (0.43) | KMT2APDK2ALDH1A1ATMCYP1A2 | |
| SCHEMBL4264901 | 0.79 | KCNQ2 (0.55) | THRBTDP1KMT2APDK2ALDH1A1 | |
| SCHEMBL11375291 | 0.79 | ATM (0.57) | TDP1KMT2AALDH1A1ATMCYP1A2 | |
| Acetic Acid SCHEMBL8136185 | 0.79 | ATM (0.56) | THRBTDP1KMT2AALDH1A1APEX1 | |
| SCHEMBL30117600 | 0.77 | CYP1A2 (0.44) | PDK2CYP1A2MAOAMAOB |
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-6162824-A | NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS | ALLELIX NEUROSCIENCE INC. | 2000-12-19 | — | — | US | disclosed |
| WO-1999041227-A1 | TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS | ALLELIX NEUROSCIENCE, INC. (US) | 1999-08-19 | — | — | WO | disclosed |