Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 6/20 | 0.34 |
| ▸ | BCHE | P06276 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 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 | |
|---|---|---|---|---|
| SCHEMBL28127914 | 0.78 | SMN1; SMN2 (0.41) | NPC1HPGDRAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL28128210 | 0.78 | SMN1; SMN2 (0.41) | NPC1HPGDRAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL9299966 | 0.75 | NPC1 (0.44) | NPC1HPGDRAB9ASMN1; SMN2TRPA1 | |
| SCHEMBL904938 | 0.75 | NPC1 (0.55) | NPC1HPGDRAB9ASMN1; SMN2TRPA1 | |
| SCHEMBL15701579 | 0.74 | MEN1 (0.36) | NPC1HPGDRAB9ASMN1; SMN2MEN1 | |
| SCHEMBL14072385 | 0.74 | NPSR1 (0.40) | HPGDNPSR1MEN1KMT2AALDH1A1 | |
| SCHEMBL14085048 | 0.74 | NPSR1 (0.40) | NPC1RAB9ANPSR1TRPA1MEN1 | |
| SCHEMBL2013877 | 0.71 | NPC1 (0.55) | NPC1HPGDRAB9ASMN1; SMN2TRPA1 | |
| SCHEMBL28183920 | 0.71 | NPC1 (0.55) | NPC1HPGDRAB9ASMN1; SMN2TRPA1 | |
| SCHEMBL2013879 | 0.71 | NPC1 (0.55) | NPC1HPGDRAB9ASMN1; SMN2TRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106749045-A | A kind of new D amino acid oxidase inhibitors and its preparation method and application | 上海交通大学 | 2017-05-31 | — | — | CN | disclosed |
| US-3950160-A | INHIBITING THE GROWTH OF WEEDS WITH 2-SUBSTITUTED PYRDIDOPYIMIDINES AND SALTS THEREOF | PFIZER INC. (US) | 1976-04-13 | — | — | US | disclosed |