Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A3 | P47895 | 6/20 | 0.52 |
| ▸ | ALDH1A2 | O94788 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 9/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | NPC1 | O15118 | 8/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.50 |
| ▸ | RELA | Q04206 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | DHODH | Q02127 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11248691 | 0.85 | ALDH1A3 (0.51) | ALDH1A3ALDH1A2RAB9AALDH1A1NPC1 | |
| SCHEMBL11252935 | 0.81 | ALDH1A1 (0.72) | ALDH1A3ALDH1A2RAB9AALDH1A1NPC1 | |
| SCHEMBL24307129 | 0.77 | ALDH1A3 (0.68) | ALDH1A3ALDH1A2RAB9AALDH1A1NPC1 | |
| SCHEMBL11419932 | 0.77 | ALDH1A1 (0.71) | ALDH1A3ALDH1A2RAB9AALDH1A1NPC1 | |
| SCHEMBL11300257 | 0.77 | ALDH1A1 (0.50) | ALDH1A3ALDH1A2RAB9AALDH1A1NPC1 | |
| SCHEMBL11259086 | 0.77 | ALDH1A3 (0.58) | ALDH1A3ALDH1A2RAB9AALDH1A1NPC1 | |
| SCHEMBL10691127 | 0.75 | CYP1A2 (0.42) | RAB9AALDH1A1NPC1SMN1; SMN2KDM4E | |
| SCHEMBL11255204 | 0.74 | ALDH1A1 (0.59) | ALDH1A3ALDH1A2RAB9AALDH1A1NPC1 | |
| SCHEMBL30947874 | 0.72 | NQO2 (0.52) | ALDH1A3ALDH1A2RAB9AALDH1A1NPC1 | |
| SCHEMBL13325718 | 0.71 | NPC1 (0.63) | ALDH1A3ALDH1A2RAB9AALDH1A1NPC1 |
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 |