Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TUBB4A | P04350 | 7/20 | 0.46 |
| ▸ | TUBB | P07437 | 7/20 | 0.46 |
| ▸ | TUBA3C | P0DPH7 | 7/20 | 0.46 |
| ▸ | TUBA1B | P68363 | 7/20 | 0.46 |
| ▸ | TUBA4A | P68366 | 7/20 | 0.46 |
| ▸ | TUBB4B | P68371 | 7/20 | 0.46 |
| ▸ | TUBB3 | Q13509 | 7/20 | 0.46 |
| ▸ | TUBB2A | Q13885 | 7/20 | 0.46 |
| ▸ | TUBB8 | Q3ZCM7 | 7/20 | 0.46 |
| ▸ | TUBA3E | Q6PEY2 | 7/20 | 0.46 |
| ▸ | TUBA1A | Q71U36 | 7/20 | 0.46 |
| ▸ | TUBA1C | Q9BQE3 | 7/20 | 0.46 |
| ▸ | TUBB6 | Q9BUF5 | 7/20 | 0.46 |
| ▸ | TUBB2B | Q9BVA1 | 7/20 | 0.46 |
| ▸ | TUBB1 | Q9H4B7 | 7/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8939755 | 0.88 | TUBB1 (0.44) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL8939736 | 0.75 | TUBB4A (0.50) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL9928581 | 0.72 | CYP3A4 (0.57) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL13181157 | 0.68 | KDM4E (0.55) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL12479217 | 0.68 | KDM4E (0.55) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL16784200 | 0.68 | TRPA1 (0.59) | KDM4ELMNATP53CYP3A4TSHR | |
| SCHEMBL31197199 | 0.68 | TRPA1 (0.59) | KDM4ELMNATP53CYP3A4TSHR | |
| SCHEMBL6160386 | 0.67 | ABCB1 (0.44) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL6266537 | 0.67 | KDM4E (0.53) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL4438700 | 0.67 | KDM4E (0.53) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A |
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-5516797-A | SUPPRESSING GRAFT REJECTION | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 1996-05-14 | — | — | US | disclosed |
| US-5330993-A | Immunosuppressive compounds | VERTEX PHARMACEUTICALS, INC. (US) | 1994-07-19 | — | — | US | disclosed |
| EP-0537269-A1 | NOVEL IMMUNOSUPPRESSIVE COMPOUNDS. | VERTEX PHARMA (US) | 1993-04-21 | — | — | EP | disclosed |