Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL11186313 | 0.87 | ALDH1A1 (0.50) | ALDH1A1TDP1NPSR1HTTKMT2A | |
| SCHEMBL7329753 | 0.82 | KDM4E (0.55) | ALDH1A1NPSR1HTTKMT2AMEN1 | |
| SCHEMBL4143256 | 0.80 | HTT (0.61) | ALDH1A1NPSR1HTTKMT2AMEN1 | |
| SCHEMBL4144775 | 0.79 | ALDH1A1 (0.55) | ALDH1A1TDP1NPSR1HTTKMT2A | |
| SCHEMBL183551 | 0.78 | — | — | |
| SCHEMBL14375213 | 0.76 | ACHE (0.49) | ALDH1A1NPSR1KMT2AMEN1HRH4 | |
| SCHEMBL901053 | 0.71 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRHTTKDM4E | |
| SCHEMBL17514990 | 0.69 | TDP1 (0.60) | ALDH1A1TDP1TSHRKDM4EMAPT | |
| SCHEMBL11271881 | 0.69 | L3MBTL1 (0.46) | ALDH1A1TDP1NPSR1HTTKMT2A | |
| SCHEMBL20163169 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4159253-A | MICROBIOCIDES | MERCK & CO., INC. (US) | 1979-06-26 | — | — | US | claimed |
| EP-0001738-A1 | 1,3,5-s-Hexahydrotrisubstituted triazines and metal-working compositions containing them | MERCK & CO. INC. (US) | 1979-05-16 | — | — | EP | claimed |
| US-4125719-A | MICROBIOCIDES | MERCK & CO., INC. (US) | 1978-11-14 | — | — | US | claimed |