Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.38 |
| ▸ | KARS1 | Q15046 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9870784 | 0.99 | CYP3A4 (0.40) | CYP3A4MEN1KMT2ATSHRCYP2D6 | |
| SCHEMBL9873448 | 0.90 | CYP3A4 (0.38) | CYP3A4MEN1KMT2ATSHRCYP2D6 | |
| Hydrochloric Acid SCHEMBL9871885 | 0.90 | CYP3A4 (0.39) | CYP3A4MEN1KMT2ATSHRCYP2D6 | |
| Hydrochloric Acid SCHEMBL9874591 | 0.90 | CYP3A4 (0.39) | CYP3A4MEN1KMT2ATSHRCYP2D6 | |
| SCHEMBL9872926 | 0.80 | CYP3A4 (0.40) | CYP3A4MEN1KMT2ATSHRCYP2D6 | |
| Hydrochloric Acid SCHEMBL9871419 | 0.79 | CYP3A4 (0.41) | CYP3A4MEN1KMT2ATSHRCYP2D6 | |
| SCHEMBL9872651 | 0.71 | MEN1 (0.62) | CYP3A4MEN1KMT2ATSHRCYP2D6 | |
| Hydrochloric Acid SCHEMBL9870783 | 0.71 | MEN1 (0.63) | CYP3A4MEN1KMT2ATSHRCYP2D6 | |
| SCHEMBL9872931 | 0.70 | CYP3A4 (0.48) | CYP3A4MEN1KMT2ATSHRCYP2D6 | |
| SCHEMBL9622444 | 0.70 | TDP1 (0.53) | CYP3A4MEN1KMT2ATSHRCYP2D6 |
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-5039706-A | Antiinflammatory, antiallergenic agent | DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1991-08-13 | — | — | US | claimed |