Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9030680 | 0.87 | CYP3A4 (0.37) | SMN1; SMN2KMT2APOLBCYP2C9CYP3A4 | |
| SCHEMBL8905896 | 0.84 | PTGS2 (0.41) | SMN1; SMN2CYP3A4CYP1A2AKR1B1ALDH1A1 | |
| SCHEMBL8905529 | 0.83 | CYP3A4 (0.53) | CYP3A4AKR1B1RAB9ANPC1ALDH1A1 | |
| SCHEMBL8904324 | 0.82 | AKR1B1 (0.39) | MEN1KMT2ACYP3A4AKR1B1RAB9A | |
| SCHEMBL8904844 | 0.78 | AKR1B1 (0.43) | SMN1; SMN2HSD17B10MEN1KMT2ACYP3A4 | |
| SCHEMBL9030256 | 0.77 | CXCL8 (0.40) | MEN1KMT2ACYP3A4AKR1B1RAB9A | |
| SCHEMBL8905800 | 0.77 | AKR1B1 (0.54) | SMN1; SMN2MEN1KMT2APOLBCYP2C9 | |
| SCHEMBL8904081 | 0.76 | CXCL8 (0.40) | SMN1; SMN2MEN1KMT2APOLBCYP3A4 | |
| SCHEMBL9031112 | 0.76 | CXCL8 (0.40) | SMN1; SMN2MEN1KMT2APOLBCYP3A4 | |
| SCHEMBL8904190 | 0.76 | AKR1B1 (0.41) | SMN1; SMN2MEN1KMT2ACYP3A4AKR1B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5622948-A | ANALGESICS | SYNTEX (U.S.A.) INC. (US) | 1997-04-22 | — | — | US | disclosed |
| EP-0714895-A1 | Pyrrole derivatives | F. Hoffmann-La Roche AG (CH) | 1996-06-05 | — | — | EP | disclosed |