Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | NPY2R | P49146 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL3658957 | 0.91 | ALDH1A1 (0.47) | ALDH1A1KDM4ECYP3A4CYP1A2CYP2D6 | |
| SCHEMBL14282927 | 0.86 | BACE1 (0.52) | ALDH1A1KDM4EHPGDSMN1; SMN2NPC1 | |
| SCHEMBL3661510 | 0.83 | BACE1 (0.48) | ALDH1A1KDM4ECYP3A4CYP1A2CYP2D6 | |
| SCHEMBL3664387 | 0.78 | BACE1 (0.53) | KDM4ECYP3A4CYP1A2CYP2D6TSHR | |
| SCHEMBL3661796 | 0.77 | BACE1 (0.44) | NPY2RBACE1 | |
| SCHEMBL3664705 | 0.77 | CCR5 (0.46) | ALDH1A1KDM4ECYP2D6NPY2RBACE1 | |
| SCHEMBL14282940 | 0.77 | ALDH1A1 (0.52) | ALDH1A1KDM4ENPY2RKMT2AL3MBTL1 | |
| SCHEMBL3658857 | 0.74 | TACR1 (0.43) | BACE1KMT2APOLB | |
| SCHEMBL14198379 | 0.74 | TSHR (0.63) | ALDH1A1KDM4ETSHRNPY2RKMT2A | |
| SCHEMBL3661405 | 0.74 | SLC6A9 (0.52) | BACE1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0918767-A4 | PHARMACEUTICAL FOR TREATING OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS | ALLELIX NEUROSCIENCE INC (US) | 2000-04-26 | — | — | EP | disclosed |
| US-6001854-A | CYCLIC AMINES FOR INHIBITING GLYCINE TRANSPORT VIA GLYCINET-1 OR GLYCINET-2 TRANSPORTER; USEFUL FOR TREATING PSYCHOLOGICAL AND OTHER BRAIN DISORDERS | ALLELIX NEUROSCIENCE INC. (US) | 1999-12-14 | — | — | US | disclosed |
| EP-0918767-A1 | PHARMACEUTICAL FOR TREATING OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS | Trophix Neuroscience Inc. (US) | 1999-06-02 | — | — | EP | disclosed |
| WO-1997045423-A1 | PHARMACEUTICAL FOR TREATING OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS | TROPHIX NEUROSCIENCE INC. (US) | 1997-12-04 | — | — | WO | disclosed |