Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | CRHBP | P24387 | 2/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.35 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.35 |
| ▸ | ITGAL | P20701 | 1/20 | 0.35 |
| ▸ | PRKDC | P78527 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Naphthalene SCHEMBL10617947 | 0.97 | ALDH1A1 (0.50) | ALDH1A1CYP2A6ALOX12LMNASMN1; SMN2 | |
| Naphthalene SCHEMBL2174111 | 0.94 | ALDH1A1 (0.47) | ALDH1A1CYP2A6ALOX12LMNASMN1; SMN2 | |
| Anthracene SCHEMBL1255911 | 0.86 | ALDH1A1 (0.44) | ALDH1A1CYP2A6ALOX12LMNASMN1; SMN2 | |
| Naphthalene SCHEMBL9860278 | 0.84 | CYP2A6 (0.57) | ALDH1A1CYP2A6ALOX12LMNASMN1; SMN2 | |
| Naphthalene SCHEMBL2321089 | 0.84 | CYP2A6 (0.57) | ALDH1A1CYP2A6ALOX12LMNASMN1; SMN2 | |
| Anthracene SCHEMBL3704152 | 0.83 | ALDH1A1 (0.42) | ALDH1A1CYP2A6ALOX12LMNASMN1; SMN2 | |
| Naphthalene SCHEMBL2464187 | 0.81 | CYP2A6 (0.61) | ALDH1A1CYP2A6ALOX12LMNASMN1; SMN2 | |
| Naphthalene SCHEMBL28298001 | 0.81 | CYP2A6 (0.61) | ALDH1A1CYP2A6ALOX12LMNASMN1; SMN2 | |
| Pyrene SCHEMBL28260906 | 0.78 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2MEN1KMT2ATSHR | |
| Chrysene SCHEMBL8740435 | 0.78 | HPRT1 (0.64) | ALDH1A1CYP2A6LMNAPRKDCKMT2A |
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-2512979-A2 | HYDROGEN STORAGE AND/OR GENERATION | California Institute of Technology (US) | 2012-10-24 | — | — | EP | disclosed |
| US-20110171119-A1 | HYDROGEN STORAGE AND/OR GENERATION | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2011-07-14 | — | — | US | disclosed |
| WO-2011081949-A2 | HYDROGEN STORAGE AND/OR GENERATION | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2011-07-07 | — | — | WO | disclosed |