Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | PRKDC | P78527 | 7/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | STK4 | Q13043 | 1/20 | 0.41 |
| ▸ | STK3 | Q13188 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8664832 | 0.82 | HTR2A (0.43) | ALDH1A1PRKDCPIK3CAPIK3CBPIK3CG | |
| SCHEMBL8662677 | 0.79 | PIK3CA (0.47) | ALDH1A1PRKDCPIK3CAPIK3CBPIK3CG | |
| SCHEMBL8664016 | 0.78 | KMT2A (0.43) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL8997930 | 0.78 | MAPT (0.43) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL8997879 | 0.74 | MAPT (0.43) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL9536952 | 0.72 | KDM4E (0.41) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL2036218 | 0.68 | STK4 (0.48) | ALDH1A1MEN1KMT2ASTK4STK3 | |
| SCHEMBL17628666 | 0.67 | NPC1 (0.44) | NPC1RAB9AMEN1KMT2ATDP1 | |
| SCHEMBL8664979 | 0.67 | NPC1 (0.48) | ALDH1A1PRKDCPIK3CAPIK3CBPIK3CG | |
| SCHEMBL9424119 | 0.65 | LMNA (0.62) | ALDH1A1PRKDCNPC1RAB9AMEN1 |
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-5852006-A | N-aminoalkyl-substituted nitrogen-containing six membered heterocyclic compounds | NIPPON CHEMIPHAR CO., LTD. (JP) | 1998-12-22 | — | — | US | disclosed |
| US-5574030-A | INHIBITING URINARY CONTRACTION, HETEROCYCLIC DIAMINES | NIPPON CHEMIPHAR CO., LTD. (JP) | 1996-11-12 | — | — | US | disclosed |