Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | THRA | P10827 | 4/20 | 0.31 |
| ▸ | THRB | P10828 | 4/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5172518 | 0.66 | TSHR (0.40) | TSHRALDH1A1THRB | |
| SCHEMBL11868944 | 0.64 | SCD (0.39) | TSHRALDH1A1THRBMEN1KMT2A | |
| Hexane SCHEMBL8891406 | 0.60 | TSHR (0.61) | TSHRALDH1A1THRBSMN1; SMN2MEN1 | |
| Hexane SCHEMBL11580709 | 0.58 | TSHR (0.58) | TSHRALDH1A1THRBSMN1; SMN2 | |
| Hexane SCHEMBL28463656 | 0.58 | TSHR (0.58) | TSHRALDH1A1THRBSMN1; SMN2 | |
| Octane SCHEMBL11684722 | 0.58 | TSHR (0.67) | TSHRALDH1A1THRBMEN1KMT2A | |
| Hexane SCHEMBL28322670 | 0.57 | TSHR (0.56) | TSHRALDH1A1THRBSMN1; SMN2MEN1 | |
| Hexane SCHEMBL2147506 | 0.57 | TSHR (0.56) | TSHRALDH1A1THRBSMN1; SMN2MEN1 | |
| Hexane SCHEMBL11586654 | 0.57 | — | — | |
| Hexane SCHEMBL5143132 | 0.56 | TSHR (0.80) | TSHRALDH1A1THRB |
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-5114942-A | Trifluoromethylthioxanthenes for treatment of drug addiction | YALE UNIVERSITY (US) | 1992-05-19 | — | — | US | disclosed |
| US-5059600-A | Administering flupenthixol | YALE UNIVERSITY (US) | 1991-10-22 | — | — | US | disclosed |