Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL27625435 | 0.82 | NOTUM (0.44) | RAB9AALDH1A1NPC1TDP1NFKB1 | |
| Benzene SCHEMBL27686656 | 0.81 | — | — | |
| Phenol SCHEMBL6276458 | 0.78 | CA12 (0.48) | ALDH1A1NPC1TDP1KMT2ANR1H2 | |
| Aniline SCHEMBL3525325 | 0.78 | TSHR (0.48) | LMNATSHRALOX12RAB9AKDM4E | |
| Benzene SCHEMBL27748340 | 0.78 | — | — | |
| Naphthalene SCHEMBL27769583 | 0.77 | CYP2A6 (0.38) | ALOX12HPGDALDH1A1 | |
| Diphenylamine SCHEMBL8355253 | 0.77 | HSD17B10 (0.50) | LMNATSHRALOX12HPGDRAB9A | |
| SCHEMBL28254898 | 0.77 | ALDH1A1 (0.40) | TSHRKDM4EALDH1A1POLBTDP1 | |
| Benzene SCHEMBL27809147 | 0.76 | — | — | |
| SCHEMBL4303682 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102947311-B | 3-oxo-3, 9-dihydro-1H-benzopyrano [2,3-C ] pyrroles as glucokinase activators | HOFFMAN-LA ROCHE LTD. (CH) | 2015-11-25 | — | — | CN | disclosed |
| CN-102947311-A | 3-oxo-3, 9-dihydro-1H-benzopyrano [2,3-C ] pyrroles as glucokinase activators | HOFFMANN LA ROCHE | 2013-02-27 | — | — | CN | disclosed |