Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.35 |
| ▸ | HBB | P68871 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30781624 | 0.89 | TSHR (0.59) | TSHRCYP3A4TP53ALDH1A1MAOB | |
| SCHEMBL109946 | 0.89 | TSHR (0.59) | TSHRCYP3A4TP53ALDH1A1MAOB | |
| SCHEMBL5155637 | 0.83 | TSHR (0.52) | TSHRCYP3A4TP53ALDH1A1MAOB | |
| SCHEMBL6449724 | 0.79 | TSHR (0.39) | TSHRCYP3A4TP53ALDH1A1MAOB | |
| SCHEMBL8015992 | 0.77 | TDP1 (0.50) | TSHRCYP3A4ALDH1A1MAPK1SMN1; SMN2 | |
| SCHEMBL4436282 | 0.77 | TSHR (0.49) | TSHRCYP3A4TP53ALDH1A1MAPK1 | |
| SCHEMBL8361890 | 0.76 | TSHR (0.58) | TSHRCYP3A4TP53ALDH1A1MAOB | |
| SCHEMBL961436 | 0.76 | TSHR (0.58) | TSHRCYP3A4TP53ALDH1A1MAOB | |
| SCHEMBL15966685 | 0.76 | TDP1 (0.35) | CYP3A4ALDH1A1MAPK1APPCYP19A1 | |
| SCHEMBL568194 | 0.75 | TSHR (0.60) | TSHRCYP3A4TP53ALDH1A1MAOB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1216128-B1 | MOLD RELEASE AGENT FOR DUROPLASTIC MOLDED PARTS | ABB RESEARCH LTD (CH) | 2004-04-07 | — | — | EP | claimed |