Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F12 | P00748 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | GPR3 | P46089 | 1/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11212810 | 0.61 | ALDH1A1 (0.46) | ALDH1A1HSD17B10HPGDKDM4ETSHR | |
| SCHEMBL11171017 | 0.56 | ALDH1A1 (0.41) | F12PLAUNCF1NOS3NOS1 | |
| SCHEMBL22721038 | 0.54 | ALDH1A1 (0.55) | ALDH1A1HSD17B10HPGDCYP2A6TSHR | |
| Naphthalene SCHEMBL7097704 | 0.52 | CYP2A6 (0.89) | ALDH1A1HSD17B10HPGDCYP2A6TSHR | |
| Phenanthrene SCHEMBL29477074 | 0.51 | CYP2A6 (1.00) | ALDH1A1HSD17B10HPGDCYP2A6TSHR | |
| Phenanthrene SCHEMBL30932938 | 0.51 | CYP2A6 (1.00) | ALDH1A1HSD17B10HPGDCYP2A6TSHR | |
| Phenanthrene SCHEMBL29358486 | 0.51 | CYP2A6 (1.00) | ALDH1A1HSD17B10HPGDCYP2A6TSHR | |
| SCHEMBL4377802 | 0.51 | ALDH1A1 (0.85) | ALDH1A1HSD17B10HPGDCYP2A6TSHR | |
| Phenanthrene SCHEMBL7643 | 0.51 | CYP2A6 (1.00) | ALDH1A1HSD17B10HPGDCYP2A6TSHR | |
| Phenanthrene SCHEMBL27458043 | 0.51 | CYP2A6 (1.00) | ALDH1A1HSD17B10HPGDCYP2A6TSHR |
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 3 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 |
| US-4007276-A | ANTIFERTILITY, ANTIINFLAMMATORY, ANALGESIC, CNS DEPRESSANT, MICROBIOCIDES | GRUPPO LEPETIT, S.P.A. (IT) | 1977-02-08 | — | — | US | disclosed |