Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.66 |
| ▸ | RAB9A | P51151 | 7/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.66 |
| ▸ | LMNA | P02545 | 3/20 | 0.66 |
| ▸ | MAPT | P10636 | 3/20 | 0.66 |
| ▸ | THRB | P10828 | 2/20 | 0.66 |
| ▸ | HPGD | P15428 | 1/20 | 0.66 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.60 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.60 |
| ▸ | RELA | Q04206 | 2/20 | 0.60 |
| ▸ | ALDH1A3 | P47895 | 4/20 | 0.47 |
| ▸ | WDR5 | P61964 | 2/20 | 0.42 |
| ▸ | ALDH1A2 | O94788 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11243245 | 0.90 | NPC1 (0.66) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL11247542 | 0.87 | NPC1 (0.52) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL11262338 | 0.83 | NPC1 (0.94) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL9990852 | 0.80 | NPC1 (1.00) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL11246624 | 0.80 | NPC1 (0.49) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL11255764 | 0.77 | NPC1 (0.81) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL11241607 | 0.74 | NPC1 (0.71) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL11257591 | 0.73 | RAB9A (0.61) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL11249432 | 0.73 | NPC1 (0.52) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL11251615 | 0.72 | ALDH1A1 (0.68) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E |
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-4313950-A | Antireproductive tricyclic ortho-fused nitrogen containing compounds | GRUPPO LEPETIT S.P.A. (IT) | 1982-02-02 | — | — | US | disclosed |
| US-4275066-A | 1,2,4-TRIAZOLO(5.1A)ISOINDOZE, TRIAZOLO(5.1A) ISOQUINOLINE OR 1,2,4,-TRIAZOLO (5.1A)(2) BENZAZEPINE CONTRACEPTIVES | GRUPPO LEPETIT S.P.A. (IT) | 1981-06-23 | — | — | US | disclosed |