Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | GLA | P06280 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | POLB | P06746 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | RAF1 | P04049 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30610018 | 0.79 | SMN1; SMN2 (0.89) | SMN1; SMN2GLAALDH1A1POLBLMNA | |
| SCHEMBL7890947 | 0.76 | DRD3 (0.56) | ALDH1A1HTT | |
| SCHEMBL7890944 | 0.76 | DRD2 (0.39) | SMN1; SMN2GLAALDH1A1L3MBTL1EGFR | |
| SCHEMBL7898624 | 0.74 | KDM4E (0.41) | GLAALDH1A1POLBLMNAKMT2A | |
| SCHEMBL3457699 | 0.74 | GLA (1.00) | SMN1; SMN2GLAALDH1A1POLBLMNA | |
| SCHEMBL14420673 | 0.74 | SMN1; SMN2 (1.00) | SMN1; SMN2GLAALDH1A1POLBLMNA | |
| SCHEMBL26187344 | 0.70 | SMN1; SMN2 (0.60) | SMN1; SMN2GLAALDH1A1POLBLMNA | |
| SCHEMBL4364575 | 0.69 | CXCR4 (0.54) | POLBCYP1A2TSHRRXFP1PARP1 | |
| SCHEMBL8577381 | 0.69 | ALDH1A1 (0.57) | ALDH1A1POLBLMNAKMT2AUSP2 | |
| SCHEMBL7891088 | 0.68 | ALDH1A1 (0.47) | SMN1; SMN2GLAALDH1A1POLBLMNA |
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-6191273-B1 | 3,6,10,14-SUBSTITUTED-3,6,10,16-TETRAAZABICYCLO(10.3.1)-HEXADE CA-1(16),12,14-TRIENE COMPOUNDS OF GIVEN FORMULA; ANTIBACTERIAL AND OTHER UTILITIES, SUCH AS TO SCREEN FOR PESTICIDES OR DRUGS | ISIS PHARMACEUTICALS, INC. | 2001-02-20 | — | — | US | disclosed |