Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | CRHBP | P24387 | 5/20 | 0.54 |
| ▸ | CRHR2 | Q13324 | 5/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.53 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | AHR | P35869 | 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 | |
|---|---|---|---|---|
| SCHEMBL6512897 | 0.87 | MAPK1 (0.59) | MAPK1RAB9ACRHBPCRHR2SMN1; SMN2 | |
| SCHEMBL5923178 | 0.80 | S1PR1 (0.54) | S1PR1KMT2AMAPTALDH1A1 | |
| SCHEMBL2703727 | 0.78 | S1PR1 (0.62) | S1PR1KMT2AMEN1LMNACYP2D6 | |
| SCHEMBL3428214 | 0.77 | S1PR1 (0.64) | S1PR1KMT2AMEN1LMNACYP2D6 | |
| SCHEMBL14409857 | 0.75 | S1PR1 (0.57) | S1PR1KMT2AMEN1LMNACYP2D6 | |
| SCHEMBL17208953 | 0.73 | S1PR1 (0.60) | S1PR1 | |
| SCHEMBL205187 | 0.72 | S1PR1 (0.50) | S1PR1 | |
| SCHEMBL10637925 | 0.72 | RAB9A (0.54) | MAPK1RAB9ACRHBPCRHR2SMN1; SMN2 | |
| SCHEMBL26554728 | 0.71 | S1PR1 (0.64) | RAB9ASMN1; SMN2S1PR1LMNAL3MBTL1 | |
| SCHEMBL2697754 | 0.71 | DHODH (0.53) | S1PR1LMNANPSR1MAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005095345-A2 | HETEROARYL GUANIDINES AS INHIBITORS OF VIRAL REPLICATION | ACHILLION PHARMACEUTICALS, INC. (US) | 2005-10-13 | — | — | WO | claimed |