Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 4/20 | 0.69 |
| ▸ | NAMPT | P43490 | 3/20 | 0.61 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.55 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | RORC | P51449 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4347646 | 0.87 | MTOR (0.70) | MTORNAMPTPRMT3TRPV1POLB | |
| SCHEMBL4353993 | 0.85 | MTOR (0.67) | MTORNAMPTPRMT3TRPV1POLB | |
| SCHEMBL4350068 | 0.85 | MTOR (0.67) | MTORNAMPTPRMT3TRPV1CNR1 | |
| SCHEMBL4341860 | 0.84 | MEN1 (0.63) | MTORMAOBMEN1KMT2A | |
| SCHEMBL4347640 | 0.83 | MTOR (0.57) | MTORNAMPTPRMT3TRPV1NPC1 | |
| SCHEMBL4349130 | 0.83 | RAB9A (0.61) | NAMPTNPC1POLBMAOBRAB9A | |
| SCHEMBL4345745 | 0.83 | EPHX2 (0.71) | MTORTRPV1RAB9AMEN1KMT2A | |
| SCHEMBL4341854 | 0.81 | MTOR (0.55) | MTORNAMPTPRMT3TRPV1MEN1 | |
| SCHEMBL28808075 | 0.80 | MTOR (0.76) | MTORNAMPTPRMT3NPC1POLB | |
| SCHEMBL26625460 | 0.80 | MTOR (0.71) | MTORNAMPTPRMT3TRPV1NPC1 |
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 |