Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.61 |
| ▸ | TSHR | P16473 | 4/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | KDM4A | O75164 | 1/20 | 0.57 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7462205 | 0.87 | TSHR (0.61) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL2800784 | 0.84 | TSHR (0.54) | ALDH1A1TSHRTP53KDM4EHSD17B10 | |
| SCHEMBL30609749 | 0.80 | TSHR (0.66) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL28734338 | 0.80 | TSHR (0.66) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL2358945 | 0.80 | TSHR (0.67) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL10568384 | 0.79 | NLRP3 (0.48) | ALDH1A1TSHRLMNAPOLBSMN1; SMN2 | |
| SCHEMBL13133330 | 0.79 | ALDH1A1 (0.64) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL13133331 | 0.79 | ALDH1A1 (0.64) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| Water SCHEMBL27681204 | 0.79 | ALDH1A1 (0.96) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL2359312 | 0.79 | TSHR (0.65) | ALDH1A1TSHRLMNACYP3A4MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4851396-A | Fungicidal compositions based on nicotinic acid derivatives, new nicotinic acid derivatives and preparation thereof | RHONE-POULENC AGROCHIMIE (FR) | 1989-07-25 | — | — | US | disclosed |