Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.59 |
| ▸ | CA12 | O43570 | 5/20 | 0.59 |
| ▸ | CA1 | P00915 | 5/20 | 0.59 |
| ▸ | CA9 | Q16790 | 5/20 | 0.59 |
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | CNR1 | P21554 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.52 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.51 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4354177 | 0.88 | MEN1 (0.57) | CA2CA12CA1CA9NPC1 | |
| SCHEMBL4347091 | 0.87 | MAPT (0.68) | CA2CA12CA1CA9NPC1 | |
| SCHEMBL4341820 | 0.82 | MAPT (0.72) | CA2CA12CA1CA9NPC1 | |
| SCHEMBL15308418 | 0.81 | MEN1 (0.78) | CA2CA12CA1CA9NPC1 | |
| SCHEMBL27782790 | 0.80 | EPHX1 (0.50) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL4341517 | 0.80 | NPC1 (0.60) | CA2CA12CA1CA9NPC1 | |
| SCHEMBL4341839 | 0.80 | CNR1 (0.68) | CA2CA12CA1CA9NPC1 | |
| SCHEMBL4354492 | 0.79 | EPHX1 (0.55) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL6672203 | 0.79 | MEN1 (0.56) | CA2CA12CA1CA9NPC1 | |
| SCHEMBL15306489 | 0.78 | RAB9A (0.76) | CA2CA12CA1CA9NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| CN-1701061-A | Novel compounds for inhibiting rotamase enzymes and uses thereof | JERINI AG (DE) | 2005-11-23 | — | — | CN | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |