Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8734461 | 0.86 | CYP1A2 (0.39) | CYP1A2CYP2A6CYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL27802213 | 0.84 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2HPGDKDM4ERAB9A | |
| SCHEMBL27802200 | 0.84 | NPC1 (0.40) | CYP2A6ALDH1A1SMN1; SMN2HPGDL3MBTL1 | |
| SCHEMBL8732812 | 0.84 | CYP1A2 (0.37) | CYP1A2CYP2A6CYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL3241635 | 0.83 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2HPGDL3MBTL1KDM4E | |
| SCHEMBL6698059 | 0.82 | CYP1A1 (0.47) | CYP1A2CYP2A6CYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL11723042 | 0.82 | CYP2A6 (0.52) | CYP1A2CYP2A6KDM4ENPC1RAB9A | |
| SCHEMBL9054823 | 0.80 | CYP1A2 (0.52) | CYP1A2CYP2A6ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL7735652 | 0.76 | HSD17B1 (0.49) | CYP1A2CYP2A6KDM4ENPC1RAB9A | |
| SCHEMBL7937480 | 0.76 | CYP1A2 (0.46) | CYP1A2CYP2A6CYP1A1CYP1B1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996009051-A1 | A METHOD FOR MINIMIZING THE UTEROTROPHIC EFFECT OF TAMOXIFEN AND TAMOXIFEN ANALOGS | ELI LILLY AND COMPANY (US) | 1996-03-28 | — | — | WO | disclosed |