Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28045669 | 0.86 | ALDH1A1 (0.47) | ALDH1A1TDP1HPRT1RAB9APOLB | |
| SCHEMBL30050969 | 0.84 | ALDH1A1 (0.46) | ALDH1A1TDP1HPRT1RAB9APOLB | |
| SCHEMBL30052139 | 0.83 | ALDH1A1 (0.44) | ALDH1A1TDP1HPRT1RAB9APOLB | |
| SCHEMBL8863198 | 0.83 | ALDH1A1 (0.44) | ALDH1A1TDP1HPRT1RAB9APOLB | |
| SCHEMBL27830462 | 0.80 | HPRT1 (0.44) | ALDH1A1TDP1HPRT1RAB9APOLB | |
| SCHEMBL4583260 | 0.80 | ALDH1A1 (0.53) | ALDH1A1TDP1HPRT1RAB9APOLB | |
| SCHEMBL27911837 | 0.79 | CRHBP (0.45) | ALDH1A1TDP1HPRT1RAB9APOLB | |
| SCHEMBL29470919 | 0.79 | ALDH1A1 (0.45) | ALDH1A1TDP1HPRT1RAB9APOLB | |
| SCHEMBL29236231 | 0.78 | ALDH1A1 (0.59) | ALDH1A1TDP1HPRT1RAB9APOLB | |
| SCHEMBL10975392 | 0.77 | HPRT1 (0.51) | ALDH1A1TDP1HPRT1RAB9APOLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005019200-A2 | ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-03-03 | — | — | WO | disclosed |