Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | G6PD | P11413 | 1/20 | 0.42 |
| ▸ | CRHBP | P24387 | 1/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL29165513 | 0.81 | TSHR (0.50) | TSHRG6PDCRHBPCRHR2ALDH1A1 | |
| SCHEMBL17104481 | 0.80 | GPR35 (0.44) | TSHRALDH1A1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL29165515 | 0.80 | TSHR (0.49) | TSHRG6PDCRHBPCRHR2ALDH1A1 | |
| SCHEMBL11693993 | 0.78 | TSHR (0.53) | TSHRG6PDCRHBPCRHR2ALDH1A1 | |
| SCHEMBL8652799 | 0.78 | CTSD (0.53) | TSHRALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL29686473 | 0.76 | TSHR (0.54) | TSHRALDH1A1KMT2AMEN1POLB | |
| SCHEMBL7111424 | 0.76 | TSHR (0.54) | TSHRALDH1A1KMT2AMEN1POLB | |
| SCHEMBL521662 | 0.76 | TSHR (0.68) | TSHRALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL8570776 | 0.75 | ALDH1A1 (0.42) | G6PDCRHBPCRHR2ALDH1A1KMT2A | |
| SCHEMBL22133207 | 0.75 | HPGD (0.51) | ALDH1A1KMT2ARAB9AMEN1NPC1 |
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 |