Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 3/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7325936 | 1.00 | KMT2A (0.41) | KMT2AAKR1C3AKR1C2ACHECA1 | |
| SCHEMBL7322362 | 0.84 | ACHE (0.44) | KMT2AAKR1C3AKR1C2ACHEALDH1A1 | |
| SCHEMBL7322359 | 0.84 | ACHE (0.44) | KMT2AAKR1C3AKR1C2ACHEALDH1A1 | |
| SCHEMBL7325812 | 0.84 | KIF11 (0.38) | KMT2AAKR1C3AKR1C2TDP1KIF11 | |
| SCHEMBL7325808 | 0.84 | KIF11 (0.38) | KMT2AAKR1C3AKR1C2TDP1KIF11 | |
| SCHEMBL7317362 | 0.84 | KIF11 (0.44) | KMT2AKDM4EALDH1A1HPGDTDP1 | |
| SCHEMBL7323867 | 0.84 | KIF11 (0.44) | KMT2AKDM4EALDH1A1HPGDTDP1 | |
| SCHEMBL7317367 | 0.84 | KIF11 (0.44) | KMT2AKDM4EALDH1A1HPGDTDP1 | |
| SCHEMBL7320576 | 0.83 | KIF11 (0.38) | KMT2AAKR1C3AKR1C2TSHRALDH1A1 | |
| SCHEMBL7320568 | 0.83 | KIF11 (0.38) | KMT2AAKR1C3AKR1C2TSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999041227-A1 | TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS | ALLELIX NEUROSCIENCE, INC. (US) | 1999-08-19 | — | — | WO | claimed |
| 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 |