Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 7/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | PNLIP | P16233 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8567801 | 0.87 | KCNK3 (0.55) | KMT2AALDH1A1KDM4ESMN1; SMN2NPC1 | |
| SCHEMBL8574070 | 0.85 | ALDH1A1 (0.51) | KMT2AALDH1A1KDM4EMAPTCYP3A4 | |
| SCHEMBL5023609 | 0.80 | PTGS2 (0.72) | GRM4KMT2AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL195970 | 0.80 | SMN1; SMN2 (0.78) | GRM4KMT2AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL8809240 | 0.78 | GAA (0.59) | ALDH1A1SMN1; SMN2NPC1RAB9AHDAC1 | |
| SCHEMBL8569591 | 0.77 | HDAC8 (0.67) | KMT2AALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL11313551 | 0.77 | KDM4E (0.62) | GRM4KMT2AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL8570504 | 0.76 | HTR6 (0.52) | KMT2AALDH1A1KDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL8571105 | 0.76 | HTR2A (0.55) | KMT2AALDH1A1MAPTCYP1A2CYP2C19 | |
| SCHEMBL8570818 | 0.74 | NPC1 (0.51) | KMT2AALDH1A1KDM4ESMN1; SMN2NPC1 |
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-5739336-A | SELECTIVE 5-HYDROXYTRYPTAMINE-2C RECEPTOR ANTAGONISTS | SYNTEX (U.S.A.) INC. (US) | 1998-04-14 | — | — | US | disclosed |
| WO-1997000872-A1 | 1,3,8-TRIAZA- AND 3,8-DIAZA-1-OXASPIRO(4,5)DECANE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 1997-01-09 | — | — | WO | disclosed |