Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.63 |
| ▸ | CA2 | P00918 | 2/20 | 0.63 |
| ▸ | CA9 | Q16790 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | SIRT2 | Q8IXJ6 | 4/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1707492 | 0.86 | SIRT2 (0.76) | SIRT2 | |
| SCHEMBL17826593 | 0.85 | SIRT2 (0.76) | ALDH1A1MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL17826594 | 0.83 | ALDH1A1 (0.64) | CA1CA2CA9ALDH1A1KMT2A | |
| SCHEMBL25132677 | 0.82 | CA1 (0.67) | CA1CA2CA9ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL3716563 | 0.80 | CA1 (0.72) | CA1CA2CA9ALDH1A1MAPT | |
| SCHEMBL17826576 | 0.80 | POLB (0.64) | CA1CA2CA9ALDH1A1SMN1; SMN2 | |
| SCHEMBL17826586 | 0.80 | SIRT2 (0.77) | CA1CA2CA9ALDH1A1MAPT | |
| SCHEMBL14096570 | 0.80 | CA1 (0.72) | CA1CA2CA9ALDH1A1MAPT | |
| SCHEMBL14096549 | 0.80 | RAB9A (0.74) | CA1CA2CA9ALDH1A1MAPT | |
| SCHEMBL14096572 | 0.79 | MAPT (0.68) | CA1CA2CA9ALDH1A1MAPT |
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-9365508-B2 | Aroyl thiourea derivatives | UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) | 2016-06-14 | — | — | US | disclosed |