Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CTSL | P07711 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HSPA5 | P11021 | 3/20 | 0.46 |
| ▸ | HSPA1A | P0DMV8 | 1/20 | 0.46 |
| ▸ | HSPA9 | P38646 | 1/20 | 0.46 |
| ▸ | HSPA2 | P54652 | 1/20 | 0.46 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 2/20 | 0.45 |
| ▸ | MMP9 | P14780 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1605401 | 0.90 | ALDH1A1 (0.55) | CA2CA1HPGDCTSLRAB9A | |
| SCHEMBL10569530 | 0.90 | ALDH1A1 (0.55) | CA2CA1HPGDCTSLRAB9A | |
| Methylamine SCHEMBL10771739 | 0.87 | HPGD (0.53) | CA2CA1HPGDCTSLRAB9A | |
| SCHEMBL4881536 | 0.82 | HPGD (0.57) | HPGDCTSLRAB9AHDAC1ALDH1A1 | |
| SCHEMBL9705401 | 0.82 | RAB9A (0.54) | CA2CA1KMT2AHPGDCTSL | |
| SCHEMBL9705400 | 0.82 | RAB9A (0.54) | CA2CA1KMT2AHPGDCTSL | |
| SCHEMBL11386076 | 0.82 | RAB9A (0.54) | CA2CA1KMT2AHPGDCTSL | |
| SCHEMBL2245494 | 0.81 | HPGDS (0.65) | CA2CA1KMT2AHDAC1MMP2 | |
| SCHEMBL8144685 | 0.81 | HSPA5 (0.61) | HPGDCTSLRAB9AHDAC1ALDH1A1 | |
| SCHEMBL9955478 | 0.81 | CA2 (0.55) | CA2CA1HPGDCTSLRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2121700-A1 | SUBSTITUTED TETRAHYDROQUINOLINES | Merck Patent GmbH (DE) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008113451-A1 | SUBSTITUTED TETRAHYDROQUINOLINES | MERCK PATENT GMBH (DE) | 2008-09-25 | — | — | WO | disclosed |