Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 4/20 | 0.58 |
| ▸ | NPC1 | O15118 | 3/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 3/20 | 0.57 |
| ▸ | CA12 | O43570 | 2/20 | 0.57 |
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CA9 | Q16790 | 2/20 | 0.57 |
| ▸ | GSK3B | P49841 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.54 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL21776629 | 0.89 | RAB9A (0.63) | NAMPTRAB9ANPC1POLBMAOB | |
| SCHEMBL4341517 | 0.86 | NPC1 (0.60) | RAB9ANPC1CA2CA12CA1 | |
| SCHEMBL4349130 | 0.85 | RAB9A (0.61) | NAMPTRAB9ANPC1POLBMAOB | |
| SCHEMBL4347646 | 0.84 | MTOR (0.70) | NAMPTRAB9APOLBCA2CA1 | |
| SCHEMBL4343714 | 0.83 | RAB9A (0.63) | RAB9ANPC1POLBMAOBMAPT | |
| SCHEMBL4351119 | 0.83 | CA2 (0.60) | RAB9ANPC1CA2CA12CA1 | |
| SCHEMBL20911009 | 0.82 | NPC1 (0.67) | NAMPTRAB9ANPC1POLBMAOB | |
| SCHEMBL4351601 | 0.82 | MAOA (0.59) | RAB9ANPC1POLBMAOBMAPT | |
| SCHEMBL4341716 | 0.81 | RAB9A (0.62) | NAMPTRAB9ANPC1MEN1HPGD | |
| SCHEMBL8180564 | 0.80 | RAB9A (0.88) | NAMPTRAB9ANPC1POLBMAOB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100546977-C | Suppress the new compound and the application thereof of rotamase | JERINI AG (DE) | 2009-10-07 | — | — | CN | claimed |
| 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 |