Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9899772 | 0.91 | HDAC3 (0.40) | MAPTSMN1; SMN2ACKR3MEN1KMT2A | |
| SCHEMBL10006265 | 0.89 | MAPT (0.38) | MAPTSMN1; SMN2NPC1RAB9AACKR3 | |
| SCHEMBL10006646 | 0.84 | MAPT (0.35) | MAPTSMN1; SMN2NPC1RAB9AACKR3 | |
| Bicarbonate SCHEMBL16735655 | 0.83 | FAAH (0.44) | ACKR3DRD2 | |
| SCHEMBL10006581 | 0.80 | ACKR3 (0.43) | MAPTSMN1; SMN2ACKR3MEN1KMT2A | |
| SCHEMBL9899617 | 0.80 | MAPT (0.40) | MAPTSMN1; SMN2ACKR3MEN1KMT2A | |
| SCHEMBL10006523 | 0.80 | MAPT (0.40) | MAPTSMN1; SMN2ACKR3MEN1KMT2A | |
| SCHEMBL9900298 | 0.80 | SLC1A3 (0.43) | MAPTSMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL10006955 | 0.78 | S1PR1 (0.47) | — | |
| SCHEMBL10006368 | 0.78 | NLRP3 (0.41) | NPC1RAB9AALDH1A1NLRP3 |
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-2649045-A2 | SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF | Bayer Intellectual Property GmbH (DE) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012076466-A2 | SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-06-14 | — | — | WO | disclosed |