Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 4/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.50 |
| ▸ | BCR | P11274 | 4/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | PGR | P06401 | 2/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.44 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1045161 | 0.86 | ABL1 (0.65) | ABL1ABCB1BCRACHERXRA | |
| SCHEMBL10049229 | 0.86 | ABL1 (0.61) | ABL1ABCB1BCRACHERXRA | |
| SCHEMBL21586168 | 0.83 | ABL1 (0.48) | ABL1ABCB1BCRPGRRXRA | |
| SCHEMBL6606854 | 0.82 | CYP1A1 (0.55) | ABL1ABCB1BCRPGRRXRA | |
| SCHEMBL20804591 | 0.81 | ACHE (0.52) | ACHEPGRKMT2AMEN1 | |
| SCHEMBL265531 | 0.81 | ACHE (0.52) | ACHEPGRKMT2AMEN1 | |
| SCHEMBL20615604 | 0.79 | ABL1 (0.59) | ABL1ABCB1BCRRXRAHSD17B1 | |
| SCHEMBL2833469 | 0.79 | NPC1 (0.57) | ABL1ABCB1BCRHSD17B1HSD17B2 | |
| SCHEMBL27852526 | 0.79 | ABL1 (0.44) | ABL1ABCB1BCRPGRRXRA | |
| SCHEMBL25365883 | 0.79 | ABL1 (0.44) | ABL1ABCB1BCRPGRRXRA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023004240-A1 | MACROCYLIC IMMUNOMODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2023-01-26 | — | — | WO | disclosed |
| WO-2019234405-A1 | COMPOUNDS USEFUL IN THE TREATMENT OF DISORDERS ASSOCIATED WITH MUTANT RAS | OXFORD UNIVERSITY INNOVATION LIMITED (GB) | 2019-12-12 | — | — | WO | disclosed |