Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.44 |
| ▸ | GALR1 | P47211 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 2/20 | 0.42 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | NOS2 | P35228 | 2/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22291709 | 0.93 | SLC18A3 (0.55) | SLC18A3TDP1ALDH1A1NOTUMKMT2A | |
| SCHEMBL7301118 | 0.93 | SLC18A3 (0.55) | SLC18A3TDP1ALDH1A1NOTUMKMT2A | |
| SCHEMBL21449754 | 0.93 | SLC18A3 (0.55) | SLC18A3TDP1ALDH1A1NOTUMKMT2A | |
| SCHEMBL23192020 | 0.93 | SLC18A3 (0.55) | SLC18A3TDP1ALDH1A1NOTUMKMT2A | |
| SCHEMBL112829 | 0.93 | SLC18A3 (0.55) | SLC18A3TDP1ALDH1A1NOTUMKMT2A | |
| SCHEMBL24096570 | 0.93 | SLC18A3 (0.55) | SLC18A3TDP1ALDH1A1NOTUMKMT2A | |
| Hydrochloric Acid SCHEMBL4986182 | 0.91 | SLC18A3 (0.53) | SLC18A3TDP1ALDH1A1TP53NOTUM | |
| SCHEMBL1064153 | 0.91 | SLC18A3 (0.56) | SLC18A3TDP1NOTUMKMT2AHSP90AA1 | |
| SCHEMBL59138 | 0.89 | NOTUM (0.55) | SLC18A3TDP1NOTUMKMT2AHSP90AA1 | |
| SCHEMBL3484987 | 0.86 | SLC18A3 (0.52) | SLC18A3TDP1CYP3A4ALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012074437-A2 | SUBSTITUTED AZOLES, ANTI-VIRAL ACTIVE INGREDIENT, PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF | АЛЛА ХЕМ, ЛЛС (US) | 2012-06-07 | — | — | WO | disclosed |
| US-5744203-A | POLYMER MIXTURES OF POLYURETHANES, POLYESTERS, POLYIMIDES, POLYCARBONATES AND POLYUREAS | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-04-28 | — | — | US | disclosed |