Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 7/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.39 |
| ▸ | TUBB | P07437 | 1/20 | 0.39 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.39 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.39 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.39 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.39 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.39 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.39 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.39 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.39 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.39 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.39 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.39 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.39 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 3/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8037059 | 0.90 | AKR1B1 (0.42) | AKR1B1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL8460294 | 0.84 | AKR1B1 (0.39) | AKR1B1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL30143436 | 0.79 | DHFR (0.38) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL7178804 | 0.77 | TUBB4A (0.42) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL8038885 | 0.76 | LDHA (0.48) | PDE3BPDE3APDE1APDE1BPDE1C | |
| SCHEMBL353813 | 0.75 | AKR1B1 (0.51) | AKR1B1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL15713191 | 0.72 | ACHE (0.48) | ACHEPDE3BPDE3A | |
| SCHEMBL29740136 | 0.72 | MCL1 (0.58) | AKR1B1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL2622274 | 0.72 | MCL1 (0.58) | AKR1B1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL7192394 | 0.71 | LDHA (0.51) | PDE3BPDE3APDE1APDE1BPDE1C |
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-5936120-A | FOR TREATING HUMAN IMMMUNODEFICIENCY VIRUS INFECTION IN MAMMALS | UNIVERSITY OF NEW MEXICO (US) | 1999-08-10 | — | — | US | disclosed |
| US-5780675-A | NONCYTOTOXIC; SAPONIFICATION, CYCLIZATION, REDUCTION, REHYDRATION; CATALYTIC HYDROGENOLYSIS | THE UNIVERSITY OF NEW MEXICO (US) | 1998-07-14 | — | — | US | disclosed |